Prof. Dr. Wolfgang Domcke

Prof. Dr. W. Domcke

Curriculum vitae

1972 Diploma in Physics
   Technische Universität München
1975 PhD in Theoretical Physics
   Technische Universität München
1979 Habilitation in Theoretical Physics
   Albert-Ludwigs-Universität Freiburg
1980 Privatdozent
   Ruprecht-Karls-Universität Heidelberg
1981 Research fellow of Deutsche Forschungsgemeinschaft (DFG)
   California Institute of Technology, Pasadena, CA, USA
1982 Associate Professor (C2) of Theoretical Chemistry
   Ruprecht-Karls-Universität Heidelberg
1986 Associate Professor (C3) of Physical and Theoretical Chemistry
   Technische Universität München
1996 Professor (Chair) of Theoretical Chemistry
   Heinrich-Heine Universität Düsseldorf
1999 Professor (Chair) of Theoretical Chemistry
   Technische Universität München

List of publications

Each title links to the article's abstract – wherever possible. Links open in a new browser tab or window.

Last update: February 22, 2016

since 2016

402. Photocatalytic water splitting with acridine dyes: Guidelines from computational chemistry: T. N. V. Karsili, A. L. Sobolewski and W. Domcke, Chem. Phys. 2016, 464, 78.

2011-1015

401. Photoinduced water splitting via benzoquinone and semiquinone sensitisation: T. N. V. Karsili, D. Tuna, J. Ehrmaier and W. Domcke, PCCP 2015, 17, 32183.
400. Excited-state deactivation in 8-oxo-deoxyguanosine: comparison between anionic and neutral forms.: D. Tuna and W. Domcke, PCCP 2015, 18, 947.
399. Quasi-classical nonadiabatic transition probability for G(3/2) x (t(2) + e) Jahn-Teller systems: L. V. Poluyanov, V. Volokhov and W. Domcke, Chem. Phys. 2015, 463, 1.
398. Microscopic derivation of the Keilson-Storer master equation: Gelin, Maxim F., A. Blokhin, V. A. Tolkachev and W. Domcke, Chem. Phys. 2015, 462, 35.
397. Quantum dynamics on a three-sheeted six-dimensional ab initio potential-energy surface of the phosphine cation: Simulation of the photoelectron spectrum and the ultrafast radiationless decay dynamics: S. Bhattacharyya, Z. Dai and W. Domcke, Chem. Phys. 2015, 143, 194301.
396. E x e Jahn-Teller effect in the P-4(+) cation and its signatures in the photoelectron spectrum of P4: S. Bhattacharyya, D. Opalka and W. Domcke, Chem. Phys. 2015, 460, 51.
395. Simulation of femtosecond two-dimensional electronic spectra of conical intersections: J. Krčmář, M. F. Gelin and W. Domcke,J. Chem. Phys. 2015, 143, 074308.
394. Photocatalytic Water Splitting with the Acridine Chromophore: A Computational Study: X. Liu, T. N. V. Karsili, A. L. Sobolewski and W. Domcke,J. Phys. Chem. B 2015, 119, 10664.
393. Theory of femtosecond coherent double-pump single-molecule spectroscopy: Application to light harvesting complexes: C. Lipeng, M. F. Gelin, W. Domcke and Z. Yang,J. Chem. Phys. 2015, 142, 164106.
392. Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations: A. K. Belyaev, W. Domcke, C. Lasser and G. Trigila,J. Chem. Phys. 2015, 142, 104307.
391. Mechanisms of photostability in kynurenines: a joint electronic-structure and dynamics study: D. Tuna, N. Došlić, M. Mališ, A. L. Sobolewski and W. Domcke, J. Phys. Chem. B 2015, 119, 2112.
390. The (E + A) x (e + a) Jahn-Teller and Pseudo-Jahn-Teller Hamiltonian Including Spin Orbit Coupling for Trigonal Systems: S. Bhattacharyya, D. Opalka, L. V. Poluyanov and W. Domcke,J. Phys. Chem. A 2014, 118, 11962.
389. Ab Initio Study of Potential Ultrafast Internal Conversion Routes in Oxybenzone, Caffeic Acid, and Ferulic Acid: Implications for Sunscreens: T. N. V. Karsili, B. Marchetti, M. N. R. Ashfold and W. Domcke, J. Phys. Chem. A 2014, 118, 11999.
388. Photoinduced Oxidation of Water in the Pyridine-Water Complex: Comparison of the Singlet and Triplet Photochemistries: X. Liu, A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 2014, 118, 7788.
387. Signatures of conical intersections in two-dimensional electronic spectra: J. Krčmář, M. F. Gelin, D. Egorova and W. Domcke, J. Phys. B 2014, 47, 124019.
386. Infrared absorption spectra of Jahn-Teller systems: application to the transition-metal trifluorides MnF3 and NiF3: P. Mondal and W. Domcke, J. Phys. Chem. A 2014, 118, 3726.
385. Photochemical mechanisms of radiationless deactivation processes in urocanic acid: D. Tuna, A. L. Sobolewski and W. Domcke, J. Phys. Chem. B 2014, 118, 976.
384. Mechanisms of ultrafast excited-state deactivation in adenosine: D. Tuna, A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 2014, 118, 122.
383. Electronically excited states and photochemical reaction mechanisms of β-glucose: D. Tuna, A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2014, 16, 38.
382. Ultrafast nonadiabatic dynamics of ethylene including Rydberg states: B. Sellner, M. Barbatti, T. Müller, W. Domcke and H. Lischka, Mol. Phys. 2013, 111, 2439.
381. Simple recipes for separating excited-state absorption and cascading signals by polarization-sensitive measurements: M. F. Gelin, Y. Tanimura and W. Domcke, J. Chem. Phys. 2013, 139, 214302.
380. Simple recipes for separating excited-state absorption and cascading signals by polarization-sensitive measurements: M. F. Gelin and W. Domcke, J. Phys. Chem. A 2013, 117, 11509.
379. Domain of validity of the perturbative approach to femtosecond optical spectroscopy: M. F. Gelin, B. J. Rao, M. Nest and W. Domcke, J. Chem. Phys. 2013, 139, 224107.
378. Ab initio study of the cyclodimerization of uracil through butane-like and oxetane-like conical intersections: V. B. Delchev and W. Domcke, J. Photochem. Photobiol. A 2013, 271, 1.
377. Photochemistry of 2-aminooxazole, a hypothetical prebiotic precursor of RNA nucleotides: R. Szabla, D. Tuna, R. W. Góra, J. Šponer, A. L. Sobolewski and W. Domcke, J. Phys. Chem. Lett. 2013, 4, 2785.
376. A multi-sheeted three-dimensional potential-energy surface for H-atom photodissociation in phenol: S. G. Ramesh and W. Domcke, Faraday Discuss. 2013, 163, 73.
375. Interpolation of multi-sheeted multi-dimensional potential-energy surfaces via a linear optimization procedure: D. Opalka and W. Domcke, J. Chem. Phys. 2013, 138, 224103.
374. Pump-probe spectroscopy with strong pulses as a tool to enhance weak electronic transitions: M. F. Gelin, A. K. Belyaev and W. Domcke, Phys. Rev. A 2013, 87, 063416.
373. Peptide deactivation: Spectroscopy meets theory (news and views): W. Domcke and A. L. Sobolewski, Nature Chem. 2013, 5, 257.
372. Computational investigation of the photoinduced homolytic dissociation of water in the pyridine-water complex: X. Liu, A. L. Sobolewski, R. Borrelli and W. Domcke, Phys. Chem. Chem. Phys. 2013, 15, 5957.
371. Strong-pump strong-probe spectroscopy: effects of higher excited states: M. F. Gelin, D. Egorova and W. Domcke, Phys. Chem. Chem. Phys. 2013, 15, 8119.
370. Jahn-Teller theory beyond the standard model: S. Bhattacharyya, D. Opalka, L. V. Poluyanov and W. Domcke, J. Phys.: Conf. Series 2013, 428, 012015.
369. Calculation of third-order optical signals via driven Schrödinger equations: general results and application to 3D photon-echo spectroscopy: J. Krčmář, M. F. Gelin and W. Domcke, Chem. Phys., in press.
368. Plasmon nanooptics with individual single-wall carbon nanotubes: I. V. Bondarev, M. F. Gelin and W. Domcke, J. Phys.: Conf. Series 2012, 393, 012024.
367. Relativistic Jahn-Teller and pseudo-Jahn-Teller couplings in D2d systems: L. V. Poluyanov and W. Domcke, Chem. Phys. 2012, 407, 1.
366. Photoinduced water splitting with oxotitanium porphyrin: a computational study: A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2012, 14, 12807.
365. Jahn-Teller, pseudo-Jahn-Teller, and spin-orbit coupling Hamiltonian of a d electron in an octahedral environment: L. V. Poluyanov and W. Domcke, J. Chem. Phys. 2012, 137, 114101.
364. Theoretical analysis of photoinduced H-atom elimination in thiophenol: T. S. Venkatesan, S. G. Ramesh, Z. Lan and W. Domcke, J. Chem. Phys. 2012, 136, 174312.
363. Quantum dynamics of electron-transfer reactions: photoinduced intermolecular electron transfer in a porphyrin-quinone complex: R. Borrelli, M. Thoss, H. Wang and W. Domcke, Mol. Phys. 2012, 110, 751.
362. Ab initio study of dynamical E x e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF3, CrF3 and NiF3: P. Mondal, D. Opalka, L.V. Poluyanov and W. Domcke, J. Chem. Phys. 2012, 136, 084308.
361. Bath-induced correlations and relaxation of vibronic dimers: M. F. Gelin, L. Z. Sharp, D. Egorova and W. Domcke, J. Chem. Phys. 2012, 136, 034507.
360. Role of conical intersections in molecular spectroscopy and photoinduced chemical dynamics: W. Domcke and D. R. Yarkony, Annu. Rev. Phys. Chem. 2012, 63, 325.
359. On the nature and signatures of the solvated electron in water: B. Abel, U. Buck, A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2012, 14, 22.
358. Exact quantum master equation for a molecular aggregate coupled to a harmonic bath: M. F. Gelin, D. Egorova and W. Domcke, Phys. Rev. E 2011, 84, 041139.
357. Relativistic Jahn-Teller effects in the photoelectron spectra of tetrahedral P4, As4, Sb4 and Bi4: D. Opalka, L. V. Poluyanov and W. Domcke, J. Chem. Phys. 2011, 135, 104108.
356. Efficient methods for the computation of ultrafast time- and frequency-resolved spectroscopic signals: M. F. Gelin, D. Egorova and W. Domcke in: "Computational Strategies for Spectroscopy: From Small Molecules to Nano Systems", V. Barone (Ed.), Wiley-VCH, New York, 2011.
355. Laser control of ultrafast dynamics at conical intersections: H. Ohtsuki and W. Domcke in: "Conical Intersections: Theory, Computation and Experiment", W. Domcke, D. R. Yarkony and H. Köppel (Eds.), World Scientific, Singapore, 2011.
354. Spin-orbit vibronic coupling in Jahn-Teller systems: L. V. Poluyanov and W. Domcke in: "Conical Intersections: Theory, Computation and Experiment", W. Domcke, D. R. Yarkony and H. Köppel (Eds.), World Scientific, Singapore, 2011.
353. Efficient excited-state deactivation in organic chromophores and biologically relevant molecules: role of electron and proton transfer processes: A. L. Sobolewski and W. Domcke in: "Conical Intersections: Theory, Computation and Experiment", W. Domcke, D. R. Yarkony and H. Köppel (Eds.), World Scientific, Singapore, 2011.
352. Jahn-Teller and spin-orbit coupling effects in transition metal trifluorides: P. Mondal, D. Opalka, L. V. Poluyanov and W. Domcke, Chem. Phys. 2011, 287, 56.
351. Effect of the chirality of residues and γ-turns on the electronic excitation spectra, excited-state reaction paths and conical intersections of capped phenylalanine-alanine dipeptides: D. Shemesh and W. Domcke, ChemPhysChem 2011, 12, 1833.
350. Optical N-wave-mixing spectroscopy with strong and temporally well-separated pulses: the doorway-window representation: M. Gelin, D. Egorova and W. Domcke, J. Phys. Chem. B 2011, 115, 5648.
349. Molecular mechanisms of the photostability of indigo: S. Yamazaki, A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2011, 13, 1618.
348. Strong and long makes short: strong-pump strong-probe spectroscopy: Maxim F. Gelin, D. Egorova and W. Domcke, J. Phys. Chem. Lett. 2011, 2, 114.

jump back to: List of publications

2010 to 2006

347. Cyclodimerization of DNA and RNA bases: ab initio study of the cyclodimerization of the uracil dimer through a butane-like conical intersection: V. B. Delchev and W. Domcke in: "High Performance Computing in Science and Engineering, Garching/Munich 2009", S. Wagner et al. (Eds.), Springer, Heidelberg, 2010.
346. Photophysics of the Trp-Gly dipeptide: role of electron and proton transfer processes for efficient excited-state deactivation: D. Shemesh and W. Domcke in: "High Performance Computing in Science and Engineering, Garching/Munich 2009", S. Wagner et al. (Eds.), Springer, Heidelberg, 2010.
345. First-principles study of photoinduced electron-transfer dynamics in a Mg-porphyrin-quinone complex: R. Borrelli and W. Domcke, Chem. Phys. Lett. 2010, 498, 230.
344. High-order expansion of T2 × e Jahn-Teller potential-energy surfaces in tetrahedral systems: D. Opalka and W. Domcke, Chem. Phys. Lett. 2010, 494, 134.
343. Relativistic T × T and E × T Jahn-Teller coupling in tetrahedral systems: L. V. Poluyanov and W. Domcke, Chem. Phys. 2010, 374, 86.
342. High-order expansion of T2 × t2 Jahn-Teller potential-energy surfaces in tetrahedral molecules: D. Opalka and W. Domcke, J. Chem. Phys. 2010, 132, 154108.
341. Relativistic Jahn-Teller effect in tetrahedral systems: D. Opalka, M. Segado, L. V. Poluyanov and W. Domcke, Phys. Rev. A 2010, 81, 042501.
340. Role of excited-state hydrogen detachment and hydrogen-transfer processes for the excited-state deactivation of an aromatic dipeptide: N-acetyl tryptophan methyl amide: D. Shemesh, A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2010, 12, 4899.
339. Comparison of the nonradiative decay mechanisms of 4-pyrimidinone and uracil: an ab initio study: V. B. Delchev, A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2010, 12, 5007.
338. Molecular mechanisms of the photostability of life: A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2010, 12, 4897 (editorial).
337. Photoinduced proton transfer as a possible mechanism for highly efficient excited-state deactivation in proteins: M. Marazzi, U. Sancho, O. Castano, W. Domcke and L. M. Frutos, J. Phys. Chem. Lett. 2010, 1, 425.
336. Efficient and accurate simulations of two-dimensional electronic photon-echo signals: illustration for a simple model of the Fenna-Matthews-Olsen complex: L. Z. Sharp, D. Egorova and W. Domcke, J. Chem. Phys. 2010, 132, 014501.
335. Photophysics of xanthine: computational study of the radiationless decay mechanisms: S. Yamazaki, A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2009, 11, 10165.
334. Photophysics of the Trp-Gly dipeptide: role of electron and proton transfer processes for efficient excited-state deactivation: D. Shemesh, C. Hättig and W. Domcke, Chem. Phys. Lett. 2009, 482, 38.
333. Manipulating electronic couplings and nonadiabatic nuclear dynamics with strong laser pulses: M. F. Gelin, D. Egorova and W. Domcke, J. Chem. Phys. 2009, 131, 124505.
332. Efficient calculation of the polarization induced by N coherent laser pulses: M. F. Gelin, D. Egorova and W. Domcke, J. Chem. Phys. 2009, 131, 194103.
331. Ab initio study of the energetics of photoinduced electron and proton transfer processes in a bio-inspired model of photochemical water splitting: A. L. Sobolewski and W. Domcke, Chem. Phys. Lett. 2009, 479, 144.
330. Spin-orbit vibronic coupling in Jahn-Teller and Renner systems: L. V. Poluyanov and W. Domcke in: "The Jahn-Teller Effect: Fundamentals and Implications for Physics and Chemistry", H. Köppel, D. R. Yarkony and H. Barentzen (Eds.), Springer, Heidelberg, 2009.
329. Generalized diatomics-in-molecules method for polyatomics: A. K. Belyaev, A. S. Tiukanov and W. Domcke, Phys. Scripta 2009, 80, 048124.
328. Efficient calculation of time- and frequency-resolved four-wave-mixing signals: M. F. Gelin, D. Egorova and W. Domcke, Acc. Chem. Res. 2009, 42, 1290.
327. Biradicalic excited states of zwitterionic phenol-ammonia clusters: A. Carrero, I. Nielsen, P. Çarçabal, C. Dedonder, M. Broquier, C. Jouvet, W. Domcke and A. L. Sobolewski, J. Chem. Phys. 2009, 130, 024302.
326. Efficient excited-state deactivation of the Gly-Phe-Ala tripeptide via an electron-driven proton-transfer process: D. Shemesh, A. L. Sobolewski and W. Domcke, J. Am. Chem. Soc. 2009, 131, 1374.
325. Computational studies of the photophysics of neutral and zwitterionic amino acids in an aqueous environment: tyrosine-(H2O)2 and tryptophan-(H2O)2 clusters: A. L. Sobolewski, D. Shemesh and W. Domcke, J. Phys. Chem. A 2009, 113, 542.
324. Relativistic E × T Jahn-Teller effect in tetrahedral systems: L. V. Poluyanov and W. Domcke, J. Chem. Phys. 2008, 129, 224102.
323. Ab initio characterization of the conical intersections involved in the photochemistry of phenol: O. P. J. Vieuxmaire, Z. Lan, A. L. Sobolewski and W. Domcke, J. Chem. Phys. 2008, 129, 224307.
322. Effects of intense femtosecond pumping on ultrafast electronic-vibrational dynamics in molecular systems with relaxation: D. Egorova, M. F. Gelin, M. Thoss, H. Wang and W. Domcke, J. Chem. Phys. 2008, 129, 214303.
321. Nonradiative decay mechanisms of the biologically relevant tautomer of guanine: S. Yamazaki, W. Domcke and A. L. Sobolewski, J. Phys. Chem. A 2008, 112, 11965.
320. Computational model of photocatalytic water splitting: A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 2008, 112, 7311.
319. Ab initio studies on the photophysics of guanine tautomers: out-of-plane deformation and NH dissociation pathways to conical intersections: S. Yamazaki and W. Domcke, J. Phys. Chem. A 2008, 112, 7090.
318. The 3E × E, 4E × E and 5E × E Jahn-Teller Hamiltonians of trigonal systems: L. V. Poluyanov and W. Domcke, Chem. Phys. 2008, 352, 125.
317. Computational studies of the photophysics of neutral and zwitterionic glycine in an aqueous environment: the glycine–(H2O)2 cluster: A. L. Sobolewski and W. Domcke, Chem. Phys. Lett. 2008, 457, 404.
316. Vibronic effects in single molecule conductance: first-principles description and application to benzenealkanethiolates between gold electrodes: C. Benesch, M. Čížek, J. Klimeš, I. Kondov, M. Thoss and W. Domcke, J. Phys. Chem. C 2008, 112, 9880.
315. Photochemistry of hydrogen-bonded aromatic pairs: quantum dynamical calculations for the pyrrole-pyridine complex: Z. Lan, L. M. Frutos, A. L. Sobolewski and W. Domcke, Proc. Natl. Acad. Sci. USA 2008, 105, 12707.
314. Renner-Teller and spin-orbit vibronic coupling effects in linear triatomic molecules with a half-filled π shell: I. Sioutis, S. Mishra, L. V. Poluyanov and W. Domcke, J. Chem. Phys. 2008, 128, 124318.
313. Role of vibrational energy relaxation in the photoinduced nonadiabatic dynamics of pyrrole at the 1πσ*–S0 conical intersection: Z. Lan and W. Domcke, Chem. Phys. 2008, 350, 125.
312. Computational studies of the photophysics of hydrogen-bonded molecular systems: A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 2007, 111, 11725.
311. A study of spin-orbit vibronic-coupling effects in the Ã3Π state of CCX (X = O, S, Se) and CNY (Y = N, P, As): S. Mishra, W. Domcke and L. V. Poluyanov, Chem. Phys. Lett. 2007, 446, 256.
310. Photoinduced electron and proton transfer in the hydrogen-bonded pyridine-pyrrole system: L. M. Frutos, A. Markmann, A. L. Sobolewski and W. Domcke, J. Phys. Chem. B 2007, 111, 6110.
309. Analysis of vibrational coherences in homodyne and two-dimensional heterodyne photon-echo spectra of Nile blue: D. Egorova, M. F. Gelin and W. Domcke, Chem. Phys. 2007, 341, 113.
308. Computational studies of aqueous-phase photochemistry and the hydrated electron in finite-size clusters: A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2007, 9, 3818.
307. Conical intersections involving the dissociative 1πσ* state in 9H-adenine: a quantum chemical ab initio study: W. C. Chung, Z. Lan, Y. Ohtsuki, N. Shimakura, W. Domcke and Y. Fujimura, Phys. Chem. Chem. Phys. 2007, 9, 2075.
306. Photophysics of eumelanin: ab initio studies on the electronic spectroscopy and photochemistry of 5,6-dihydroxyindole: A. L. Sobolewski and W. Domcke, ChemPhysChem 2007, 8, 756.
305. Spin-orbit vibronic coupling in 3Π states of linear triatomic molecules: S. Mishra, L. V. Poluyanov and W. Domcke, J. Chem. Phys. 2007, 126, 134312.
304. Long-lived anionic states of H2, HD, D2 and T2: M. Čížek, J. Horáček and W. Domcke, Phys. Rev. A 2007, 75, 012507.
303. Electron-driven proton transfer processes in the solvation of excited states: W. Domcke and A. L. Sobolewski in: "Continuum Solvation Models in Chemical Physics: Theory and Applications", B. Mennucci and R. Cammi (Eds.), Wiley-VCH, Weinheim, 2007.
302. Photoinduced multi-mode quantum dynamics of pyrrole at the 1πσ*-S0 conical intersections: Z. Lan, A. Dupays, V. Vallet, S. Mahapatra and W. Domcke, J. Photochem. Photobiol. A 2007, 190, 177.
301. Analysis of cross peaks in two-dimensional electronic photon-echo spectroscopy for simple models with vibrations and dissipation: D. Egorova, M. F. Gelin and W. Domcke, J. Chem. Phys. 2007, 126, 074314.
300. Quasistationary upper-well states of E × E Jahn-Teller systems with spin-orbit coupling: L. V. Poluyanov, S. Mishra and W. Domcke, Chem. Phys. 2007, 332, 243.
299. Quasiclassical theory of the dynamical E × E Jahn-Teller effect including spin-orbit interaction: L. V. Poluyanov, S. Mishra and W. Domcke, Mol. Phys. 2007, 105, 1471.
298. Simulation of resonance Raman spectra of the solvated electron in water and methanol: S. Neumann, W. Eisfeld, A. L. Sobolewski and W. Domcke in: "Femtochemistry VII: Fundamental Ultrafast Processes in Chemistry, Physics, and Biology", A. W. Castleman, Jr. and M. L. Kimble (Eds.), Elsevier, Amsterdam, 2006.
297. Conical intersections in thymine: S. Perun, A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 2006, 110, 13238.
296. Calculation of the vibronic structure of the photodetachment spectra of CCCl and CCBr: S. Mishra, V. Vallet, L. V. Poluyanov and W. Domcke, J. Chem. Phys. 2006, 125, 164327.
295. The chemical physics of the photostability of life: A. L. Sobolewski and W. Domcke, Europhys. News 2006, 37, 20.
294. Simulation of the photodetachment spectrum of the pyrrolide anion: A. Motzke, Z. Lan, C. Woywod and W. Domcke, Chem. Phys. 2006, 329, 50.
293. Vibronic effects on resonant electron conduction through single molecule junctions: C. Benesch, M. Čížek, M. Thoss and W. Domcke, Chem. Phys. Lett. 2006, 430, 355.
292. Photophysics of intramolecularly hydrogen-bonded aromatic systems: ab initio exploration of the excited-state deactivation mechanisms of salicylic acid: A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2006, 8, 3410.
291. Role of electron-driven proton-transfer processes in the excited-state deactivation of the adenine–thymine base pair: S. Perun, A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 2006, 110, 9031.
290. Photoionization-induced dynamics of ammonia: ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation: A. Viel, W. Eisfeld, S. Neumann, W. Domcke and U. Manthe, J. Chem. Phys. 2006, 124, 214316.
289. Study of strong Σ–Π and spin-orbit vibronic coupling effects in linear triatomic molecules: S. Mishra, W. Domcke and L. V. Poluyanov, Chem. Phys. 2006, 327, 457.
288. Geometric phase effects in the coherent control of the branching ratio of photodissociation products of phenol: M. Abe, Y. Ohtsuki, Y. Fujimura, Z. Lan and W. Domcke, J. Chem. Phys. 2006, 124, 224316.
287. Photophysics of organic photostabilizers: ab initio study of the excited-state deactivation mechanisms of 2-(2´-hydroxyphenyl)benzotriazole: A. L. Sobolewski, W. Domcke and C. Hättig, J. Phys. Chem. A 2006, 110, 6301.
286. Resonance Raman spectrum of the solvated electron in methanol: simulation within a cluster model: S. Neumann, W. Eisfeld, A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 2006, 110, 5613.
285. Calculation of the vibronic structure of the X 2Π photoelectron spectra of XCN, X = F, Cl, and Br: S. Mishra, V. Vallet, L.V. Poluyanov and W. Domcke, J. Chem. Phys. 2006, 124, 044317.
284. Relevance of electron-driven proton-transfer processes for the photostability of proteins: A. L. Sobolewski and W. Domcke, ChemPhysChem 2006, 7, 561.
283. Generalized diatomics-in-molecules method applied to the H3 anion: A. K. Belyaev, A. S. Tiukanov and W. Domcke, Chem. Phys. 2006, 325, 378.
282. Importance of spin-orbit coupling for the assignment of the photodetachment spectra of AuX2 (X = Cl, Br, and I): S. Mishra, V. Vallet and W. Domcke, ChemPhysChem 2006, 7, 723.
281. Dissociative electron attachment and vibrational excitation of H2 by low-energy electrons: Calculations based on an improved nonlocal resonance model: J. Horáček, M. Čížek, K. Houfek, P. Kolorenč and W. Domcke, Phys. Rev. A 2006, 73, 022701.
280. Ab initio studies on the photophysics of 2-aminopurine: S. Perun, A. L. Sobolewski and W. Domcke, Mol. Phys. 2006, 104, 1113.
279. The relativistic E × E Jahn-Teller effect revisited: W. Domcke, S. Mishra and L. V. Poluyanov, Chem. Phys. 2006, 322, 405.
278. Two-channel semiclassical S-matrix for the E × E Jahn-Teller problem including spin-orbit coupling: L. V. Poluyanov and W. Domcke, Chem. Phys. 2006, 322, 349.

jump back to: List of publications

2005 to 2001

277. Remarkable impact of intermode couplings on multi-mode vibronic dynamics: the photoelectron spectrum of CH3F: S. Mahapatra, V. Vallet, C. Woywod, H. Köppel and W. Domcke, J. Chem. Phys. 2005, 123, 231103.
276. Efficient method for the calculation of time- and frequency-resolved four-wave-mixing signals and its application to photon echo spectroscopy: M. F. Gelin, D. Egorova and W. Domcke, J. Chem. Phys. 2005, 123, 124112.
275. Spectroscopic effects of first-order relativistic vibronic coupling in linear triatomic molecules: S. Mishra, V. Vallet, L. V. Poluyanov and W. Domcke, J. Chem. Phys. 2005, 123, 124104.
274. Photochemistry of pyrrole: time-dependent quantum wave-packet description of the dynamics at the 1πσ*–S0 conical intersections: V. Vallet, Z. Lan, S. Mahapatra, A. L. Sobolewski and W. Domcke, J. Chem. Phys. 2005, 123, 144307.
273. Tautomeric selectivity of the excited-state lifetime of guanine/cytosine base pairs: the role of electron-driven proton-transfer processes: A. L. Sobolewski, W. Domcke and C. Hättig, Proc. Natl. Acad. Sci. USA 2005, 102, 17903.
272. Optimal control of ultrafast cis-trans photoisomerization of retinal in rhodopsin via a conical intersection: M. Abe, Y. Ohtsuki, Y. Fujimura and W. Domcke, J. Chem. Phys. 2005, 123, 144508.
271. Photochemistry of water: the (H2O)5 cluster: A. L. Sobolewski and W. Domcke, J. Chem. Phys. 2005, 122, 184320.
270. Time-dependent quantum wave-packet description of the 1πσ* photochemistry of phenol: Z. Lan, W. Domcke, V. Vallet, A. L. Sobolewski and S. Mahapatra, J. Chem. Phys. 2005, 122, 224315.
269. Optimal control of femtosecond photoisomerization of retinal in rhodopsin: effects of conical intersections: M. Abe, Y. Ohtsuki, Y. Fujimura and W. Domcke in: "Ultrafast Phenomena XVI", T. Kobayashi et al. (Eds.), Springer, Berlin, 2005.
268. Experimental and theoretical evidence for long-lived molecular hydrogen anions H2 and D2: R. Golser, H. Gnaser, W. Kutschera, A. Priller, P. Steier, A. Wallner, M. Čížek, J. Horáček and W. Domcke, Phys. Rev. Lett. 2005, 94, 223003.
267. Transient phenomena in time- and frequency-gated spontaneous emission: M. F. Gelin, D. Egorova, A. V. Pisliakov and W. Domcke, J. Phys. Chem. A 2005, 109, 3587.
266. Charge transport through a flexible molecular junction: M. Čížek, M. Thoss and W. Domcke, Czech. J. Phys. 2005, 55, 189.
265. Isotope effects in vibrational excitation and dissociative electron attachment of DCl and DBr: J. Horáček, M. Čížek, P. Kolorenč and W. Domcke, Eur. Phys. J. D 2005, 35, 225.
264. Photostability of 9H-adenine: mechanisms of the radiationless deactivation of the lowest excited singlet states: S. Perun, A. L. Sobolewski and W. Domcke, Chem. Phys. 2005, 313, 107.
263. Ab initio studies on the radiationless decay mechanisms of the lowest excited singlet states of 9H-adenine: S. Perun, A. L. Sobolewski and W. Domcke, J. Am. Chem. Soc. 2005, 127, 6257.
262. Photochemistry of MCl(H2O)4, M = H, Li, Na clusters: finite-size models of the photodetachment of the chloride anion in salt solutions: A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2005, 7, 970.
261. Time- and frequency-resolved fluorescence spectra of nonadiabatic dissipative systems: what photons can tell us: M. F. Gelin, D. Egorova and W. Domcke, J. Chem. Phys. 2005, 122, 134504.
260. A new method for the calculation of two-pulse time- and frequency-resolved spectra: M. F. Gelin, D. Egorova and W. Domcke, Chem. Phys. 2005, 312, 135.
259. Dissociative attachment and vibrational excitation of H2 by low-energy electrons: calculations based on an improved nonlocal resonance model: J. Horáček, M. Čížek, K. Houfek, P. Kolorenč and W. Domcke, Phys. Rev. A 2004, 70, 052712.
258. Intramolecular hydrogen bonding in the S1(ππ*) excited state of anthranilic acid and salicylic acid: TDDFT calculation of excited-state geometries and infrared spectra: A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 2004, 108, 10917.
257. Time-dependent quantum wave-packet description of the 1πσ* photochemistry of pyrrole: V. Vallet, Z. Lan, S. Mahapatra, A. L. Sobolewski and W. Domcke, Discuss. Faraday Soc. 2004, 127, 283.
256. Efficient deactivation of a model base pair via excited-state hydrogen transfer: T. Schultz, E. Samoylova, W. Radloff, I. V. Hertel, A. L. Sobolewski and W. Domcke, Science 2004, 306, 1765.
255. Simulation of the resonance Raman spectrum of the hydrated electron in the hydrated-hydronium cluster model: S. Neumann, W. Eisfeld, A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2004, 6, 5297.
254. Unified description of sequential and coherent contributions to time-resolved spontaneous emission signals: generalized doorway-window approach: M. F. Gelin, D. Egorova, A. V. Pisliakov and W. Domcke, Chem. Phys. Lett. 2004, 391, 234.
253. Photoinduced dynamics of ethene in the N, V, and Z valence states: a six-dimensional nonadiabatic quantum dynamics investigation: A. Viel, R. P. Krawczyk, U. Manthe and W. Domcke, J. Chem. Phys. 2004, 120, 11000.
252. Time-resolved spontaneous emission beyond the doorway-window approximation: M. F. Gelin, D. Egorova and W. Domcke, Chem. Phys. 2004, 301, 129.
251. Coherences in the time-resolved fluorescence of the TCNE-HMB complex: simulation versus experiment: A. V. Pisliakov, M. F. Gelin and W. Domcke in: "Femtochemistry and Femtobiology - Ultrafast Events in Molecular Science", M. M. Martin and J. T. Hynes (Eds.), Elsevier, Amsterdam, 2004.
250. A simple approach for the calculation of femtosecond pump-probe spectra for electronically nonadiabatic systems: M. F. Gelin, A. V. Pisliakov and W. Domcke in: "Femtochemistry and Femtobiology - Ultrafast Events in Molecular Science", M. M. Martin and J. T. Hynes (Eds.), Elsevier, Amsterdam, 2004.
249. Femtosecond time-resolved spectroscopy of the dynamics at conical intersections: G. Stock and W. Domcke in: "Conical Intersections: Electronic Structure, Dynamics and Spectroscopy", W. Domcke, D. R. Yarkony and H. Köppel (Eds.), World Scientific, Singapore, 2004.
248. The multi-mode vibronic-coupling approach: H. Köppel, W. Domcke and L. S. Cederbaum in: "Conical Intersections: Electronic Structure, Dynamics and Spectroscopy", W. Domcke, D. R. Yarkony and H. Köppel (Eds.), World Scientific, Singapore, 2004.
247. Generic aspects of the dynamics at conical intersections: internal conversion, vibrational relaxation and photoisomerization: W. Domcke in: "Conical Intersections: Electronic Structure, Dynamics and Spectroscopy", W. Domcke, D.R. Yarkony and H. Köppel (Eds.), World Scientific, Singapore, 2004.
246. Theory of vibrationally inelastic electron transport through molecular bridges: M. Čížek, M. Thoss and W. Domcke, Phys. Rev. B 2004, 70, 125406.
245. Multi-mode Jahn-Teller and pseudo-Jahn-Teller coupling effects in the photoelectron spectrum of CH3F: S. Mahapatra, V. Vallet, C. Woywod, H. Köppel and W. Domcke, Chem. Phys. 2004, 304, 17.
244. Quantum dynamical simulations of ultrafast photoinduced electron-transfer processes: D. Egorova and W. Domcke, J. Photochem. Photobiol. A 2004, 166, 19.
243. Ab initio studies on the photophysics of the guanine–cytosine base pair: A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2004, 6, 2763.
242. The relativistic Renner-Teller effect revisited: L. V. Poluyanov and W. Domcke, Chem. Phys. 2004, 301, 111.
241. Theoretical study of vibrational wave-packet dynamics in electron-transfer systems: M. Thoss, W. Domcke and H. Wang, Chem. Phys. 2004, 296, 217.
240. Coherent vibrational dynamics during ultrafast photoinduced electron-transfer reactions: quantum dynamical simulations within multi-level Redfield theory: D. Egorova and W. Domcke, Chem. Phys. Lett. 2004, 384, 157.
239. Unraveling the molecular mechanisms of photoacidity: W. Domcke and A. L. Sobolewski, Science 2003, 302, 1693.
238. Time and frequency gated spontaneous emission and vibrational dynamics in the excited state: M. F. Gelin, A. V. Pisliakov and W. Domcke in: "Recent advances in ultrafast spectroscopy: proceedings of the XII UPS Conference, Florence, Oct. 28 &ndash Nov. 1, 2001", S. Califano et al. (Eds.), L.S. Olschki, Florence, 2003.
237. Quasiclassical quantization of the four-state vibronic problem associated with accidentally degenerate Σ+, Π and Σ states: L. V. Poluyanov and W. Domcke, Chem. Phys. 2003, 293, 179.
236. Vibrational excitation of hydrogen fluoride by low-energy electrons: theory and experiment: M. Čížek, J. Horáček, M. Allan, I. I. Fabrikant and W. Domcke, J. Phys. B 2003, 36, 2837.
235. Ab initio study of the excited-state coupled electron-proton-transfer in the 2-aminopyridine dimer: A. L. Sobolewski and W. Domcke, Chem. Phys. 2003, 294, 73.
234. Modeling of ultrafast electron-transfer processes: validity of multi-level Redfield theory: D. Egorova, M. Thoss, W. Domcke and H. Wang, J. Chem. Phys. 2003, 119, 2761.
233. The sudden-polarization effect and its role in the ultrafast photochemistry of ethene: A. Viel, R. P. Krawczyk, U. Manthe and W. Domcke, Angew. Chem. Int. Ed. Engl. 2003, 42, 3434.
232. Photoinduced dynamics of the valence states of ethene: a six-dimensional potential-energy surface of three electronic states with several conical intersections: R. P. Krawczyk, A. Viel, U. Manthe and W. Domcke, J. Chem. Phys. 2003, 119, 1397.
231. Detection of electronic and vibrational coherence effects in electron-transfer systems by femtosecond time-resolved fluorescence spectroscopy: theoretical aspects: A. V. Pisliakov, M. F. Gelin and W. Domcke, J. Phys. Chem. A 2003, 107, 2657.
230. Anionic water clusters with large vertical electron binding energies and their electronic spectra: (H2O)11 and (H2O)14: A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2003, 5, 1130.
229. Theoretical investigation of Jahn-Teller and pseudo-Jahn-Teller interactions in the ammonia cation: C. Woywod, S. Scharfe, R. P. Krawczyk, W. Domcke and H. Köppel, J. Chem. Phys. 2003, 118, 5880.
228. A simple model for the calculation of nonlinear optical response functions and femtosecond time-resolved spectra: M. F. Gelin, A. V. Pisliakov, D. Egorova and W. Domcke, J. Chem. Phys. 2003, 118, 5287.
227. Photochemistry of HCl(H2O)4: cluster model of the photodetachment of the chloride anion in water: A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 2003, 107, 1557.
226. Ab initio reaction paths and potential-energy functions for excited-state intra- and intermolecular hydrogen-transfer processes: A. L. Sobolewski and W. Domcke in: "Ultrafast Hydrogen Bonding Dynamics and Proton Transfer Processes in the Condensed Phase", T. Elsaesser and H. J. Bakker (Eds.), Kluwer, Dordrecht, 2002.
225. On the mechanism of nonradiative decay of DNA bases: ab initio and TDDFT results for the the excited states of 9H-adenine: A. L. Sobolewski and W. Domcke, Eur. J. Phys. D 2002, 20, 369.
224. Resonance and threshold phenomena in low-energy electron collisions with hydrogen halides: new experimental and theoretical results: M. Čížek, J. Horáček, M. Allan and W. Domcke, Czech. J. Phys. 2002, 52, 1057.
223. Four-channel semiclassical S-matrix for a Σ+–Π–Σ-type conical intersection in triatomic systems: L. V. Poluyanov and W. Domcke, Chem. Phys. 2002, 279, 215.
222. Excited-state hydrogen detachment and hydrogen transfer driven by repulsive 1πσ* states: a new paradigm for nonradiative decay in aromatic biomolecules: A. L. Sobolewski, W. Domcke, C. Dedonder-Lardeux and C. Jouvet, Phys. Chem. Chem. Phys. 2002, 4, 1093.
221. Time- and frequency-gated spontaneous emission as a tool for studying vibrational dynamics in the excited state: M. F. Gelin, A. V. Pisliakov and W. Domcke, Phys. Rev. A 2002, 65, 062507.
220. Development of an effective single-electron model of the electronic structure of hydronium and hydronium-water clusters: V. A. Ermoshin, A. L. Sobolewski and W. Domcke, Chem. Phys. Lett. 2002, 356, 556.
219. Ab initio investigation of the structures and spectroscopy of hydronium-water clusters: A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 2002, 106, 4185.
218. Multi-level Redfield description of the dissipative dynamics at conical intersections: A. Kühl and W. Domcke, J. Chem. Phys. 2002, 116, 263.
217. Hydrated hydronium: a cluster model of the solvated electron?: A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2002, 4, 4.
216. Generalized diatomics-in-molecules method for polyatomic anions: A. K. Belyaev, A. S. Tiukanov and W. Domcke, Phys. Rev. A 2001, 65, 012508.
215. Theoretical investigation of A 2Σg+ – X 2Πu vibronic-coupling and ultrafast internal-conversion dynamics in the acetylene cation: R. C. Gillen, B. Ostojic and W. Domcke, Chem. Phys. 2001, 272, 1.
214. Photoinduced electron and proton transfer in phenol and its clusters with water and ammonia: A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 2001, 105, 9275.
213. Modeling of ultrafast electron-transfer dynamics: multi-level Redfield theory and validity of approximations: D. Egorova, A. Kühl and W. Domcke, Chem. Phys. 2001, 268, 105.
212. Ab initio investigation of the potential energy surfaces involved in the photophysics of s-trans-1,3-butadiene: B. Ostojic and W. Domcke, Chem. Phys. 2001, 269, 1.
211. Photolysis of heterocycles in water: ab initio studies on the photochemistry of pyrrole-water and indole-water clusters: W. Domcke and A. L. Sobolewski in: "The Physics and Chemistry of Clusters", Nobel Symposia Series, Vol. 117, E. E. B. Campbell and M. Larsson (Eds.), World Scientific, Singapore, 2001.
210. Femtosecond dynamics at conical intersections: W. Domcke in: "Femtochemistry", C. F. De Schreyver et al. (Eds.), Wiley-VCH, Weinheim, 2001.
209. Inelastic low-energy electron collisions with the HBr and DBr molecules: experiment and theory: M. Čížek, J. Horáček, A.-Ch. Sergenton, D. Popovic, M. Allan, W. Domcke, T. Leininger and F. X. Gadea, Phys. Rev. A 2001, 63, 062710.

jump back to: List of publications

2000 to 1996

208. Photoinduced charge separation in indole-water clusters: A. L. Sobolewski and W. Domcke, Chem. Phys. Lett. 2000, 329, 130.
207. Conical intersections induced by repulsive 1πσ* states in planar organic molecules: malonaldehyde, pyrrole and chlorobenzene as photochemical model systems: A. L. Sobolewski and W. Domcke, Chem. Phys. 2000, 259, 181.
206. Effect of a dissipative environment on the dynamics at a conical intersection: A. Kühl and W. Domcke, Chem. Phys. 2000, 259, 227.
205. Photoejection of electrons from pyrrole into an aquaeous environment: ab initio results on pyrrole-water clusters: A. L. Sobolewski and W. Domcke, Chem. Phys. Lett. 2000, 321, 479.
204. Electron scattering in cooled HCl: boomerang structures and outer-well resonances in elastic and vibrational excitation cross sections: M. Allan, M. Čížek, J. Horáček and W. Domcke, J. Phys. B 2000, 33, L209.
203. 1 1Bu–2 1Ag conical intersection in trans-butadiene: ultrafast dynamics and optical spectra: R. P. Krawczyk, K. Malsch, G. Hohlneicher, R. C. Gillen and W. Domcke, Chem. Phys. Lett. 2000, 320, 535.
202. Molecular-dynamics simulations of solvent effects in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile: W. Sudholt, A. Staib, A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 2000, 2, 4341.
201. Ab initio investigations on the photophysics of indole: A. L. Sobolewski and W. Domcke, Chem. Phys. Lett. 1999, 315, 293.
200. Ab initio potential-energy functions for excited state intramolecular proton transfer: a comparative study of o-hydroxybenzaldehyde, salicylic acid and 7-hydroxy-1-indanone: A. L. Sobolewski and W. Domcke, Phys. Chem. Chem. Phys. 1999, 1, 3065.
199. Potential-energy function for intramolecular proton transfer in the malonaldehyde cation: A. L. Sobolewski and W. Domcke, Chem. Phys. Lett. 1999, 310, 548.
198. Associative detachment, dissociative attachment and vibrational excitation of HCl by low-energy electrons: M. Čížek, J. Horáček and W. Domcke, Phys. Rev. A 1999, 60, 2873.
197. Photophysics of malonaldehyde: an ab initio study: A. L. Sobolewski and W. Domcke, J. Phys. Chem. A 1999, 103, 4494.
196. On the mechanism of rapid nonradiative decay in intramolecularly hydrogen-bonded π systems: A. L. Sobolewski and W. Domcke, Chem. Phys. Lett. 1999, 300, 533.
195. Ab initio study of the amino group twisting and wagging reaction paths in the intramolecular charge transfer of 4-(N,N-dimethylamino)benzonitrile: W. Sudholt, A. L. Sobolewski and W. Domcke, Chem. Phys. 1999, 240, 9.
194. Modulation of ultrafast electron transfer dynamics by wave packet motion in oxazine 1: S. Engleitner, M. Seel, B. Wolfseder, G. Stock, W. Domcke and W. Zinth in: "Ultrafast Phenomena XI", T. Elsässer et al. (Eds.), Springer, Berlin, 1998.
193. Conical intersections and femtosecond dynamics: W. Domcke, L. Seidner and G. Stock in: "Ultrafast Phenomena XI", T. Elsässer et al. (Eds.), Springer, Berlin, 1998.
192. Generalization of the nonlocal resonance model for low-energy electron collisions with hydrogen halides: the variable threshold exponent: J. Horáček, M. Čížek and W. Domcke, Theor. Chem. Acc. 1998, 100, 31.
191. Photodissociation of ozone in the Chappuis band. III. Product state distributions: H. Flöthmann, R. Schinke, C. Woywod and W. Domcke, J. Chem. Phys. 1998, 109, 2680.
190. Vibrational coherence in ultrafast electron-transfer dynamics of oxazine 1 in N,N-dimethylaniline: simulation of a femtosecond pump-probe experiment: B. Wolfseder, L. Seidner, W. Domcke, G. Stock, M. Seel, S. Engleitner and W. Zinth, Chem. Phys. 1998, 233, 323.
189. Nuclear dynamics of the H2 collision complex beyond the local approximation: associative detachment and dissociative attachment to rotationally and vibrationally excited molecules: M. Čížek, J. Horáček and W. Domcke, J. Phys. B 1998, 31, 2571.
188. Theory of vibrational relaxation processes in resonant collisions of low-energy electrons with large molecules: M. Thoss and W. Domcke, J. Chem. Phys. 1998, 109, 6577.
187. Ab initio study of excited-state intramolecular proton dislocation in salicylic acid: A. L. Sobolewski and W. Domcke, Chem. Phys. 1998, 232, 257.
186. Ab initio investigation of reaction pathways for intramolecular charge transfer in dimethylanilino derivatives: A. L. Sobolewski, W. Sudholdt and W. Domcke, J. Phys. Chem. A 1998, 102, 2716.
185. Effect of a thermal bath on electronic resonance decay: a numerical path-integral study: H. Plöhn, M. Thoss, M. Winterstetter and W. Domcke, Phys. Rev. A 1998, 58, 1152.
184. Vibronic dynamics of polyatomic molecules: H. Köppel and W. Domcke, Review article in "Encyclopedia of Computational Chemistry", P. von Rague Schleyer (Ed.), Wiley, New York, 1998.
183. Electron attachment and vibrational excitation in hydrogen iodide: calculations based on the nonlocal resonance model: J. Horáček, W. Domcke and H. Nakamura, Z. Physik D 1997, 42, 181.
182. Photodissociation of ozone in the Chappuis band. II. Time-dependent wave-packet calculations and interpretation of diffuse vibrational structures: H. Floethmann, C. Beck, R. Schinke, C. Woywod, and W. Domcke, J. Chem. Phys. 1997, 107, 7296.
181. Photodissociation of ozone in the Chappuis band. I. Electronic structure calculations: C. Woywod, M. Stengle, W. Domcke, H. Floethmann and R. Schinke, J. Chem. Phys. 1997, 107, 7282.
180. Femtosecond pump-probe spectroscopy of electron-transfer systems: a nonperturbative approach: B. Wolfseder, L. Seidner, G. Stock and W. Domcke, Chem. Phys. 1997, 217, 275.
179. Mechanism of photoinduced intramolecular charge transfer in aminobenzethynes: an ab initio study: A. L. Sobolewski and W. Domcke, J. Photochem. Photobiol. 1997, 105, 325.
178. Theory of ultrafast nonadiabatic excited-state processes and their spectroscopic detection in real time: W. Domcke and G. Stock, Adv. Chem. Phys. 1997, 100, 1.
177. Model study of near-threshold photoionization of large molecules: the effect of vibrational relaxation: M. Thoss and W. Domcke, J. Chem. Phys. 1997, 106, 3174.
176. Ultrafast non-Born-Oppenheimer dynamics detected by resonance Raman spectroscopy: a case study on pyrazine: G. Stock , C. Woywod and W. Domcke in: "Proceedings of the XVth International Conference on Raman Spectroscopy", S. A. Asher and P. B. Stein (Eds.), Wiley, New York, 1996.
175. Promotion of intramolecular charge transfer in dimethylamino derivatives: twisting versus acceptor-group rehybridization: A. L. Sobolewski and W. Domcke, Chem. Phys. Lett. 1996, 259, 119.
174. Intramolecular electron-transfer dynamics in the inverted regime: quantum mechanical multi-mode model including dissipation: B. Wolfseder and W. Domcke, Chem. Phys. Lett. 1996, 259, 113.
173. Real-time path-integral approach for general two-state multi-mode vibronic-coupling models: S. Krempl, W. Domcke and M. Winterstetter, Chem. Phys. 1996, 206, 63.
172. Charge transfer in aminobenzonitriles: do they twist?: A. L. Sobolewski and W. Domcke, Chem. Phys. Lett. 1996, 250, 428.
171. Calculation of cross sections for vibrational excitation and dissociative attachment in electron collisions with HBr and DBr: J. Horáček and W. Domcke, Phys. Rev. A 1996, 53, 2262.
170. Ab initio studies of reaction paths in excited-state hydrogen-transfer processes: A. L. Sobolewski and W. Domcke in: "The Reaction Path in Chemistry: Current Approaches and Perspectives", D. Heidrich (Ed.), Kluwer, Dordrecht, 1996.

jump back to: List of publications

1995 to 1991

169. A model for the quantum dynamics of Rydberg states of large molecules: M. Thoss and W. Domcke, Chem. Phys. Lett. 1995, 245, 364.
168. Resonance Raman spectroscopy of the S1 and S2 states of pyrazine: experiment and first principles calculation of spectra: G. Stock, C. Woywod, W. Domcke, T. Swinney and B. S. Hudson, J. Chem. Phys. 1995, 103, 6851.
167. Path-integral treatment of the real-time dynamics of few-mode spin-boson models: H. Plöhn, S. Krempl, M. Winterstetter and W. Domcke, Chem. Phys. 1995, 200, 11.
166. Nonperturbative approach to femtosecond spectroscopy: general theory and application to multidimensional nonadiabatic photoisomerization processes: L. Seidner, G. Stock and W. Domcke, J. Chem. Phys. 1995, 103, 3998.
165. Path-integral treatment of multi-mode vibronic coupling. II. Correlation expansion of class averages: S. Krempl, M. Winterstetter and W. Domcke, J. Chem. Phys. 1995, 102, 6499.
164. Recursive evaluation of the real-time path integral for dissipative systems. The spin-boson model: M. Winterstetter and W. Domcke, Chem. Phys. Lett. 1995, 236, 445.
163. Multi-mode vibronic coupling with dissipation. Application of the Monte Carlo wavefunction propagation method: B. Wolfseder and W. Domcke, Chem. Phys. Lett. 1995, 235, 370.
162. Calculation of dissociative electron attachment and vibrational excitation cross-section of HBr: J. Horáček and W. Domcke, Chem. Phys. Lett. 1995, 234, 304.
161. Femtosecond spectroscopy of nonadiabatic photoisomerization processes: semiclassical modelling: G. Stock, L. Seidner and W. Domcke in: "Ultrafast Phenomena IX", P. F. Barbara et al. (Eds.), Springer, Berlin, 1994.
160. Model studies on femtosecond spectroscopy of multidimensional photoisomerization and internal-conversion dynamics. A nonperturbative approach: L. Seidner, G. Stock and W. Domcke, Chem. Phys. Lett. 1994, 228, 665.
159. Diabatic CASSCF orbitals and wave funtions: W. Domcke, C. Woywod and M. Stengle, Chem. Phys. Lett. 1994, 226, 257.
158. Microscopic modelling of photoisomerization and internal-conversion dynamics: L. Seidner and W. Domcke, Chem. Phys. 1994, 186, 27.
157. Time-dependent wave-packet dynamics with memory: the electron-HCl collision complex: P. L. Gertitschke and W. Domcke, Z. Physik D 1994, 31, 171.
156. Theoretical investigation of potential energy surfaces relevant for excited-state hydrogen transfer in o-hydroxybenzaldehyde: A. L. Sobolewski and W. Domcke, Chem. Phys. 1994, 184, 115.
155. Path-integral treatment of multi-mode vibronic coupling: S. Krempl, M. Winterstetter, H. Plöhn and W. Domcke, J. Chem. Phys. 1994, 100, 926.
154. Characterization of the S1–S2 conical intersection in pyrazine by ab initio multiconfiguration self-consistent-field and multireference configuration-interaction methods: C. Woywod, W. Domcke, A. L. Sobolewski and H. J. Werner, J. Chem. Phys. 1994, 100, 1400.
153. Direct construction of diabatic states in the CASSCF approach. Application to the conical intersection of the 1A2 and 1B1 excited states of ozone: W. Domcke and C. Woywod, Chem. Phys. Lett. 1993, 216, 362.
152. Path-integral approach to resonant electron-molecule scattering. II. Second-order cumulant approximation and multi-mode applications: M. Winterstetter and W. Domcke, Phys. Rev. A 1993, 48, 4272.
151. Femtosecond spectroscopy of ultrafast nonadiabatic excited-state dynamics on the basis of ab initio potential-energy surfaces: the S2 state of pyrazine: G. Stock and W. Domcke, J. Phys. Chem. 1993, 97, 12466.
150. Femtosecond time-resolved ionization spectroscopy of polyatomic molecules: M. Seel and W. Domcke in: "Ultrafast Phenomena VIII", J.-L. Martin et al. (Eds.), Springer, Berlin, 1993.
149. Evidence for the need of a non-Born-Oppenheimer description of excited-state hydrogen transfer: A. L. Sobolewski and W. Domcke, Chem. Phys. Lett. 1993, 211, 82.
148. Systematically improved local complex potential approximation for the dynamics of electron-molecule collision complexes: P. L. Gertitschke and W. Domcke, J. Phys. B 1993, 26, 2927.
147. Ab initio investigation of potential-energy surfaces involved in the photophysics of benzene and pyrazine: A. L. Sobolewski, C. Woywod and W. Domcke, J. Chem. Phys. 1993, 98, 5627.
146. Vibronic coupling in the pE" Rydberg series of NH3: A. Staib and W. Domcke, Chem. Phys. Lett. 1993, 204, 505.
145. X 2Ag – A 2B1g conical intersection in the pyrazine cation and its effect on the photoelectron spectrum: L. Seidner, W. Domcke and W. von Niessen, Chem. Phys. Lett. 1993, 205, 117.
144. Path-integral approach to resonant electron-molecule scattering: M. Winterstetter and W. Domcke, Phys. Rev. A 1993, 47, 2838.
143. Internal conversion funnel in benzene and pyrazine: adiabatic and diabatic representation: W. Domcke, A. L. Sobolewski and C. Woywod, Chem. Phys. Lett. 1993, 203, 220.
142. Time-dependent wave-packet description of dissociative electron attachment: P. L. Gertitschke and W. Domcke, Phys. Rev. A 1993, 47, 1031.
141. Model study on the real-time detection of ultrafast nonadiabatic dynamics associated with the Wulf-Chappuis bands of ozone: G. Stock, C. Woywod and W. Domcke, Chem. Phys. Lett. 1992, 200, 163.
140. Ab initio characterization of the S1–S2 conical intersection in pyrazine and calculation of spectra: L. Seidner, G. Stock, A. L. Sobolewski and W. Domcke, J. Chem. Phys. 1992, 96, 5298.
139. Theoretical study of the photoelectron spectrum of allene: C. Woywod and W. Domcke, Chem. Phys. 1992, 162, 349.
138. Perturbation of the Jahn-Teller effect by partial isotopic substitution: multi-mode vibronic coupling in the X 2E1g and B 2E2g states of 1,4–C6H4D2+: J. Eiding and W. Domcke, Chem. Phys. 1992, 163, 133.
137. Detection of ultrafast molecular-excited-state dynamics with time- and frequency-resolved pump-probe spectroscopy: G. Stock and W. Domcke, Phys. Rev. A 1992, 45, 3032.
136. Femtosecond time-resolved ionization spectroscopy of ultrafast internal-conversion dynamics in polyatomic molecules: theory and computational studies: M. Seel and W. Domcke, J. Chem. Phys. 1991, 95, 7806.
135. Friction in dissociative attachment: P. L. Gertitschke and W. Domcke, J. Phys. B 1991, 24, L367.
134. Vibronic coupling in Rydberg series of linear molecules: A. Staib, W. Domcke and A. L. Sobolewski, Chem. Phys. 1991, 156, 21.
133. Photophysically relevant potential energy functions of low-lying singlet states of benzene, pyridine and pyrazine: an ab initio study: A. L. Sobolewski and W. Domcke, Chem. Phys. Lett. 1991, 180, 381.
132. Theory of resonance and threshold effects in electron-molecule collisions: the projection-operator approach: W. Domcke, Phys. Rep. 1991, 208, 97.
131. Jahn-Teller effect of the 2e2g level of chemisorbed benzene: J. Eiding, W. Domcke, H. Huber and H.-P. Steinrück, Chem. Phys. Lett. 1991, 180, 133.
130. Jahn-Teller coupling in Rydberg series of benzene: A. Staib and W. Domcke, J. Chem. Phys. 1991, 94, 5402.
129. Model studies on femtosecond time-resolved ionization spectroscopy of excited-state vibrational dynamics and vibronic coupling: M. Seel and W. Domcke, Chem. Phys. 1991, 151, 59.
128. Ab initio investigation of the multi-mode dynamical Jahn-Teller effect in the X 2E1g state of the benzene cation: J. Eiding, R. Schneider, W. Domcke, H. Köppel and W. von Niessen, Chem. Phys. Lett. 1991, 177, 345.

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1990 to 1986

127. Theory of resonance Raman scattering and fluorescence from strongly vibronically coupled excited states of polyatomic molecules: G. Stock and W. Domcke, J. Chem. Phys. 1990, 93, 5496.
126. Analysis of the Jahn-Teller effect in the p2E' Rydberg series of H3 and D3: A. Staib and W. Domcke, Z. Physik D 1990, 16, 275.
125. Theory of femtosecond pump-probe spectroscopy of ultrafast internal conversion processes in polyatomic molecules: G. Stock and W. Domcke, J. Opt. Soc. America B 1990, 7, 1970.
124. Threshold peaks in the vibrational excitation of molecules by electron impact: a time-dependent view: P. L. Gertitschke and W. Domcke, Z. Physik D 1990, 16, 189.
123. Jahn-Teller effect in Rydberg series: a multi-state vibronic coupling problem: A. Staib, W. Domcke and A. L. Sobolewski, Z. Physik D 1990, 16, 49.
122. Threshold phenomena in low-energy electron-polar-molecule collisions: the nonlocal resonance model: W. Domcke in: "Aspects of Electron-Molecule Scattering and Photoionization", A. Herzenberg (Ed.), American Institute of Physics, New York, 1990.
121. Aspects of dissipative electronic and vibrational dynamics of strongly vibronically coupled systems: R. Schneider, W. Domcke and H. Köppel, J. Chem. Phys. 1990, 92, 1045.
120. MQDT analysis of radiationless decay rates of autoionizing Rydberg states of polyatomic molecules: A. Staib, W. Domcke and A. L. Sobolewski, Chem. Phys. Lett. 1989, 162, 336.
119. Surface-hopping-induced femtosecond vibrational dephasing in strongly vibronically coupled systems: R. Schneider and W. Domcke, Chem. Phys. Lett. 1989, 159, 61.
118. Theoretical studies on the femtosecond real-time measurement of ultrafast electronic decay in polyatomic molecules: G. Stock, R. Schneider and W. Domcke, J. Chem. Phys. 1989, 90, 7184.
117. Non-Markovian dynamics of electron-molecule collision complexes: H. Estrada and W. Domcke, Phys. Rev. A 1989, 40, 1262.
116. Resonances in molecular photoionization. IV. Theory of one-color and two-color near-threshold photoionization of molecules: W. Domcke, A. L. Sobolewski and S. H. Lin, J. Chem. Phys. 1988, 89, 6209.
115. S1 – S2 conical intersection and ultrafast S2 → S1 internal conversion in pyrazine: R. Schneider and W. Domcke, Chem. Phys. Lett. 1988, 150, 235.
114. Model studies on the time-resolved measurement of excited-state vibrational dynamics and vibronic coupling: G. Stock and W. Domcke, Chem. Phys. 1988, 124, 227.
113. Interplay of Jahn-Teller and pseudo-Jahn-Teller vibronic dynamics in the benzene cation: H. Köppel, L. S. Cederbaum and W. Domcke, J. Chem. Phys. 1988, 89, 2023.
112. Friction and memory effects in the dynamics of short-lived negative ions: W. Domcke and H. Estrada, J. Phys. B 1988, 21, L205.
111. Resonances in molecular photoionization. III. Multichannel extension and application to polyatomic molecules: A. L. Sobolewski and W. Domcke, J. Chem. Phys. 1988, 88, 5571.
110. Collision dynamics with nonlocal complex potentials: W. Domcke, C. Mündel and L. S. Cederbaum, Comments At. Mol. Phys. 1987, 20, 293.
109. Model calculation on the pump-probe measurement of ultrafast electronic population decay in polyatomic molecules: W. Domcke and H. Köppel, Chem. Phys. Lett. 1987, 140, 133.
108. Conical intersections and ultrafast radiationless decay: W. Domcke, H. Köppel and L. S. Cederbaum in: "Stochasticity and Intramolecular Redistribution of Energy", R. Lefebvre and S. Mukamel (Eds.), Reidel, Dordrecht, 1987.
107. Resonances in molecular photoionization. I. Model calculations and analysis of general phenomena: A. L. Sobolewski and W. Domcke, J. Chem. Phys. 1987, 86, 176.
106. Threshold phenomena in electron-molecule collisions: W. Domcke in: "Swarm Studies and Inelastic Electron-Molecule Collisions", L. C. Pitchford et al. (Eds.), Springer, New York, 1987.
105. Analytic expressions for the matrix elements of the Morse Green's function with Morse wave functions: C. Mündel and W. Domcke, Chem. Phys. 1986, 105, 137.
104. Collision dynamics with nonlocal potentials: W. Domcke and C. Mündel in: "Electronic and Atomic Collisions", D. C. Lorents (Ed.), North-Holland, Amsterdam, 1986.
103. Correlation effects in the ionization of molecules: breakdown of the molecular orbital picture: L. S. Cederbaum, W. Domcke, J. Schirmer and W. von Niessen, Adv. Chem. Phys. 1985, 65, 115.
102. Vibronic coupling of short-lived electronic states: H. Estrada, L. S. Cederbaum and W. Domcke, J. Chem. Phys. 1986, 84, 152.
101. Direct calculation of complex resonance poles using separable expansions of the potential: application to the 2Σu+ shape resonance in electron-H2 scattering: W. Domcke, M. Berman, C. Mündel and H.-D. Meyer, Phys. Rev. A 1986, 33, 222.

jump back to: List of publications

1985 to 1981

100. Calculation of cross sections for vibrational excitation and dissociative attachment in HCl and DCl beyond the local-complex-potential approximation: W. Domcke and C. Mündel, J. Phys. B 1985, 18, 4491.
99. Projection-operator calculations for molecular shape resonances: the 2Σu+ resonance in electron-hydrogen scattering: M. Berman, C. Mündel and W. Domcke, Phys. Rev. A 1985, 31, 641.
98. On the virtual-state effect in low-energy electron-CO2 scattering: H. Estrada and W. Domcke, J. Phys. B 1985, 18, 4469.
97. Nuclear dynamics in electron-molecule scattering beyond the local approximation: vibrational excitation and dissociative attachment in H2 and D2: C. Mündel, M. Berman and W. Domcke, Phys. Rev. A 1985, 32, 181.
96. An accurate potential energy function of the H2- ion at large internuclear distances: J. Senekowitsch, P. Rosmus, W. Domcke and H.-J. Werner, Chem. Phys. Lett. 1984, 111, 211.
95. Strong nonadiabatic effects in C2D4+: H. Köppel, L. S. Cederbaum and W. Domcke, Chem. Phys. Lett. 1984, 110, 469.
94. Direct calculation of complex resonance poles in electron-molecule scattering using separable T-matrix expansions: M. Berman and W. Domcke, J. Phys. B 1984, 17, L453.
93. Nuclear dynamics in electron-molecule scattering beyond the local approximation: model calculations on dissociative attachment and vibrational excitation: C. Mündel and W. Domcke, J. Phys. B 1984, 17, 3593.
92. Projection-operator calculations for molecular shape resonances in the optical potential approach: M. Berman and W. Domcke, in "Wavefunctions and Mechanisms from Electron Scattering Processes", F. A. Gianturco and G. Stefani (Eds.), Springer Lecture Notes in Chemistry, Vol. 35, 1984.
91. Calculation of cross sections for dissociative attachment and vibrational excitation in HCl beyond the local complex potential approximation: W. Domcke and C. Mündel, in "Wavefunctions and Mechanisms from Electron Scattering Processes", F. A. Gianturco and G. Stefani (Eds.), Springer Lecture Notes in Chemistry, Vol. 35, 1984.
90. Aspects of nuclear dynamics in short-lived negative ion states: W. Domcke, M. Berman, H. Estrada, C. Mündel and L. S. Cederbaum, J. Phys. Chem. 1984, 88, 4862.
89. Projection-operator calculations for shape resonances: a new method based on the many-body optical-potential approach: M. Berman and W. Domcke, Phys. Rev. A 1984, 29, 2485.
88. Multi-mode molecular dynamics beyond the Born-Oppenheimer approximation: H. Köppel, W. Domcke and L. S. Cederbaum, Adv. Chem. Phys. 1984, 57, 59.
87. Analytic properties of the S-matrix for a simple model of fixed-nuclei electron-polar-molecule scattering: H. Estrada and W. Domcke, J. Phys. B 1984, 17, 279.
86. Theory of resonance and threshold effects in the electronic excitation of molecules by electron impact: M. Ohno and W. Domcke, Phys. Rev. A 1983, 28, 3315.
85. Projection-operator approach to potential scattering: W. Domcke, Phys. Rev. A 1983, 28, 2777.
84. Theoretical study of electron transmission through N2: H. Estrada, M. Berman, L. S. Cederbaum and W. Domcke, Chem. Phys. Lett. 1983, 97, 352.
83. Nuclear dynamics in resonant electron-molecule scattering beyond the local approximation: the 2.3-eV shape resonance in N2: M. Berman, H. Estrada, L. S. Cederbaum and W. Domcke, Phys. Rev. A 1983, 28, 1363.
82.

Symmetry breaking and non-Born-Oppenheimer effects in radical cations: H. Köppel, L. S. Cederbaum, W. Domcke and S. S. Shaik, Angew. Chem. Int. Ed. Engl. 1983, 22, 210.

Symmetriebrechung und Nicht-Born-Oppenheimer-Effekte in Radikalkationen: H. Köppel, L. S. Cederbaum, W. Domcke and S. S. Shaik, Angew. Chem. 1983, 95, 221.

81. Analysis of the ambiguities in the definition of the local complex potential in resonant electron-molecule scattering: M. Berman, L. S. Cederbaum and W. Domcke, J. Phys. B 1983, 16, 875.
80. Analytic theory of resonances and bound states near Coulomb thresholds: W. Domcke, J. Phys. B 1983, 16, 359.
79. Dynamical theory of resonant electron-molecule scattering near threshold: W. Domcke and L. S. Cederbaum, in: "Electron-Atom and Electron-Molecule Collisions", J. Hinze (Ed.), Plenum Press, New York, 1983.
78. Calculation of S-matrix poles using the Schwinger variational principle: W. Domcke, J. Phys. B 1982, 15, 2675.
77. Strong non-Condon effects induced by electron correlation: N2O+: H. Köppel, L. S. Cederbaum and W. Domcke, Chem. Phys. 1982, 69, 175.
76. Theoretical methods for low-energy electron-molecule scattering: W. Domcke and L. S. Cederbaum, in: "Physics of Electronic and Atomic Collisions", S. Datz (Ed.), North Holland, Amsterdam, 1982.
75. Strong nonadiabatic effects and conical intersections in molecular spectroscopy and unimolecular decay: C2H4+: H. Köppel, L. S. Cederbaum and W. Domcke, J. Chem. Phys. 1982, 77, 2014.
74. Multi-mode vibronic coupling effects in molecules: L. S. Cederbaum, H. Köppel and W. Domcke, Int. J. Quant. Chem. 1981, S15, 251.
73. Local against non-local complex potential in resonant electron-molecule scattering: L. S. Cederbaum and W. Domcke, J. Phys. B 1981, 14, 4665.
72. Analytic theory of resonances, virtual states and bound states in electron-molecule scattering and related processes: W. Domcke, J. Phys. B 1981, 14, 4889.
71. Spectroscopic effects of conical intersections of molecular potential energy surfaces: W. Domcke, H. Köppel and L. S. Cederbaum, Mol. Phys. 1981, 43, 851.
70. Green's function calculations on the complete valence ionization spectra of HF, HCl, HBr and HI: W. von Niessen, L. S. Cederbaum, W. Domcke and G. H. F. Diercksen, Chem. Phys. 1981, 56, 43.
69. On the valence shell binding energy spectrum of carbonyl sulphide: J. P. D. Cook, M. J. White, C. E. Brion, W. Domcke, J. Schirmer, L. S. Cederbaum and W. von Niessen, J. Electr. Spectrosc. 1981, 22, 261.
68. Theoretical studies of inner-valence-shell photoionization cross sections in N2 and CO: P. W. Langhoff, S. R. Langhoff, T. N. Rescigno, J. Schirmer, L. S. Cederbaum, W. Domcke and W. von Niessen: Chem. Phys. 1981, 58, 71.
67. Theory of vibronic coupling in linear molecules: H. Köppel, W. Domcke and L. S. Cederbaum, J. Chem. Phys. 1981, 74, 2945.
66. On the interpretation of low-energy electron-HCl scattering phenomena: W. Domcke and L. S. Cederbaum, J. Phys. B 1981, 14, 149.
65. The effect of a resonance on vibrational structure in the photoelectron spectrum of acetylene: R. Unwin, I. Khan, N. V. Richardson, A. M. Bradshaw, L. S. Cederbaum and W. Domcke, Chem. Phys. Lett. 1981, 77, 242.

jump back to: List of publications

1980 to 1973

64. The E ⊗ (ε + ε) Jahn-Teller effect: E. Haller, L. S. Cederbaum and W. Domcke, Mol. Phys. 1980, 41, 1291.
63. Jahn-Teller effect for very strong coupling: H. Köppel, E. Haller, L. S. Cederbaum and W. Domcke, Mol. Phys. 1980, 41, 669.
62. Effective single-mode Hamiltonian for the calculation of multi-mode Jahn-Teller band shapes: L. S. Cederbaum, E. Haller and W. Domcke, Solid State Comm. 1980, 35, 879.
61. Vibration-induced narrowing of electron scattering resonances near threshold: W. Domcke and L. S. Cederbaum, J. Phys. B 1980, 13, 2829.
60. Phenomena in photoelectron spectroscopy and their theoretical calculation: W. von Niessen, L. S. Cederbaum, W. Domcke and J. Schirmer in: "Computational Methods in Chemistry", J. Bargon (Ed.), Plenum Press, New York, 1980.
59. Two-mode Jahn-Teller effect in NH3+: E. Haller, L. S. Cederbaum, W. Domcke and H. Köppel, Chem. Phys. Lett. 1980, 72, 427.
58. Many-body theory of core holes: L. S. Cederbaum, W. Domcke and J. Schirmer, Phys. Rev. A 1980, 22, 206.
57. Photon energy dependence of satellite line intensity in the photoelectron spectrum of acetylene: A. M. Bradshaw, W. Eberhardt, H. J. Levinson, W. Domcke and L. S. Cederbaum, Chem. Phys. Lett. 1980, 70, 36.
56. A spherical box approach to resonances: C. H. Maier, L. S. Cederbaum and W. Domcke, J. Phys. B 1980, 13, L119.
55. Many-body effects in valence and core photoionization of molecules: L. S. Cederbaum, W. Domcke, J. Schirmer and W. von Niessen, Physica Scripta 1980, 21, 481.
54. Dynamical calculation of satellite intensities: L. S. Cederbaum, W. Domcke, J. Schirmer and H. Köppel, J. Chem. Phys. 1980, 72, 1348.
53. The influence of finite lifetime of electronic states on the vibrational structure of molecular electronic spectra: F. Kaspar, W. Domcke and L. S. Cederbaum, Chem. Phys. 1979, 44, 33.
52. Threshold phenomena in electron-molecule scattering: a nonadiabatic theory: W. Domcke, L. S. Cederbaum and F. Kaspar, J. Phys. B 1979, 12, L359.
51. Negative shake-up energy in core ionization: W. Domcke, L. S. Cederbaum, J. Schirmer and W. von Niessen, Chem. Phys. 1979, 39, 149.
50. Negative shake-up energy in core ionization: W. Domcke, L. S. Cederbaum, J. Schirmer and W. von Niessen, Phys. Rev. Lett. 1979, 42, 1238.
49. Experimental and theoretical investigation of the complete valence shell ionization spectra of CO2 and N2O: W. Domcke, L. S. Cederbaum, J. Schirmer, W. von Niessen, C. E. Brion and K. H. Tan, Chem. Phys. 1979, 40, 171.
48. Vibronic coupling in linear molecules and linear-to-bent transitions: HCN: H. Köppel, L. S. Cederbaum, W. Domcke and W. von Niessen, Chem. Phys. 1979, 37, 303.
47. Strong correlation effects in the ionisation of CS2: J. Schirmer, W. Domcke, L. S. Cederbaum, W. von Niessen and L. Åsbrink, Chem. Phys. Lett. 1979, 61, 30.
46. Vibrational state dependence of the photoelectron angular asymmetry parameter caused by vibronic coupling: W. Domcke, Phys. Scripta 1979, 19, 11.
45. On Green's function methods for the study of ionic states in atoms and molecules: W. von Niessen, L. S. Cederbaum and W. Domcke in: "Excited States in Quantum Chemistry", C. A. Nicolaides and D. R. Beck (Eds.), D. Reidel Publishing Company, Dordrecht, 1978.
44. On the adequacy of the molecular-orbital picture for describing ionization processes: L. S. Cederbaum, J. Schirmer, W. Domcke and W. von Niessen, Int. J. Quant. Chem. 1978, 14, 593.
43. Jahn-Teller effect induced by non-degenerate vibrational modes in cumulenes: L. S. Cederbaum, W. Domcke and H. Köppel, Chem. Phys. 1978, 33, 319.
42. Correlation effects in the ionization of hydrocarbons: L. S. Cederbaum, W. Domcke, J. Schirmer, W. von Niessen, G. H. F. Diercksen and W. P. Kraemer, J. Chem. Phys. 1978, 69, 1591.
41. Interpretation of the photoelectron spectrum of N2O4: W. von Niessen, W. Domcke, L. S. Cederbaum and J. Schirmer, J. Chem. Soc. Faraday Trans. II 1978, 74, 1550.
40. Breakdown of the molecular orbital picture of ionization for inner-valence electrons: experimental and theoretical study of H2S and PH3: W. Domcke, L. S. Cederbaum, J. Schirmer, W. von Niessen and J. P. Maier, J. Electr. Spectrosc. 1978, 14, 59.
39. Vibronic coupling effects in the photoelectron spectrum of ethylene: H. Köppel, W. Domcke, L. S. Cederbaum and W. von Niessen, J. Chem. Phys. 1978, 69, 4252.
38. Break-down of the molecular-orbital picture of ionization: CS, PN and P2: J. Schirmer, W. Domcke, L. S. Cederbaum and W. von Niessen, J. Phys. B 1978, 11, 1901.
37. Complete breakdown of the quasiparticle picture for inner-valence electrons: hydrogen cyanide and formic acid: J. Schirmer, L. S. Cederbaum, W. Domcke and W. von Niessen, Chem. Phys. Lett. 1978, 57, 582.
36. Remark on fixed-molecule high-energy photoelectron angular distributions: W. Domcke and L. S. Cederbaum, Surface Science 1978, 72, 223.
35. Electronic recoil effects in high-energy photoelectron spectroscopy: W. Domcke and L. S. Cederbaum, J. Electr. Spectrosc. 1978, 13, 161.
34. The Jahn-Teller effect in NH3+: H. Köppel, L. S. Cederbaum, W. Domcke and W. von Niessen, Mol. Phys. 1978, 35, 1283.
33. A comparison of different approaches to the calculation of Franck-Condon factors for polyatomic molecules: W. Domcke, L. S. Cederbaum, H. Köppel and W. von Niessen, Mol. Phys. 1977, 34, 1759.
32. Strong vibronic coupling effects in ionization spectra: the "mystery band" of butatriene: L. S. Cederbaum, W. Domcke, H. Köppel and W. von Niessen, Chem. Phys. 1977, 26, 169.
31. Strong correlation effects in inner valence ionization of N2 and CO: J. Schirmer, L. S. Cederbaum, W. Domcke and W. von Niessen, Chem. Phys. 1977, 26, 149.
30. Vibronic coupling and symmetry breaking in core electron ionization: W. Domcke and L. S. Cederbaum, Chem. Phys. 1977, 25, 189.
29. Theory of the vibrational structure of resonances in electron-molecule scattering: W. Domcke and L. S. Cederbaum, Phys. Rev. A 1977, 16, 1465.
28. Complete breakdown of the quasiparticle picture for inner valence electrons: L. S. Cederbaum, J. Schirmer, W. Domcke and W. von Niessen, J. Phys. B 1977, 10, L549.
27. Intrinsic and extrinsic plasmon coupling in x-ray photoemission from core states of adsorbed atoms: A. M. Bradshaw, W. Domcke and L. S. Cederbaum, Phys. Rev. B 1977, 16, 1480.
26. Many-body calculation of electron affinities: C2 and a prediction for P2: L. S. Cederbaum, W. Domcke and W. von Niessen, J. Phys. B 1977, 10, 2963.
25. A difficult assignment problem: the ionic states of ozone and sulphur dioxide: L. S. Cederbaum, W. Domcke, W. von Niessen and W. P. Kraemer, Mol. Phys. 1977, 34, 381.
24. Ionization potentials and vibrational structure in photoelectron spectra by a Green's function method: trans–HNNH, cis–HNNH and 1,1–dihydrodiazine (H2NN): W. von Niessen, W. Domcke, L. S. Cederbaum and W. P. Kraemer, J. Chem. Phys. 1977, 67, 44.
23. Many-body calculations on molecules with second-row atoms: H2S and H2CS: W. von Niessen, L. S. Cederbaum, W. Domcke and G. H. F. Diercksen, J. Chem. Phys. 1977, 66, 4893.
22. Localized and delocalized core holes and their interrelation: L. S. Cederbaum and W. Domcke, J. Chem. Phys. 1977, 66, 5084.
21. On the photoelectron spectrum of PN: W. Domcke, L. S. Cederbaum, W. von Niessen and G. H. F. Diercksen, J. Electr. Spectrosc. 1977, 11, 239.
20. Radiative electron-attachment spectra of O3 and SO2: A theoretical investigation: L. S. Cederbaum, W. Domcke and W. von Niessen, Mol. Phys. 1977, 33, 1399.
19. Theoretical aspects of ionization potentials and photoelectron spectroscopy: a Green's function approach: L. S. Cederbaum and W. Domcke, Adv. Chem. Phys. 1977, 36, 205.
18. A simple formula for the vibrational structure of resonances in electron-molecule scattering: W. Domcke and L. S. Cederbaum, J. Phys. B 1977, 10, L47.
17. Ionization potentials of ethylene, allene and butatriene by a Green's function method: W. von Niessen, G. H. F. Diercksen, L. S. Cederbaum and W. Domcke, Chem. Phys. 1976, 18, 469.
16. Ionization potentials of HCN and HNC by a Green's function method: W. von Niessen, L. S. Cederbaum, W. Domcke and G. H. F. Diercksen, Mol. Phys. 1976, 32, 1057.
15. Vibrational excitation of molecules by resonant electron scattering: theory and application to benzene: L. S. Cederbaum and W. Domcke, Z. Physik A 1976, 277, 221.
14. Calculation of the HeI photoelectron spectrum of CS including satellite lines: W. Domcke, L. S. Cederbaum, W. von Niessen and W. P. Kraemer, Chem. Phys. Lett. 1976, 43, 258.
13. A many-body approach to the vibrational structure in molecular electronic spectra. II. Application to nitrogen, carbon monoxide and formaldehyde: W. Domcke and L. S. Cederbaum, J. Chem. Phys. 1976, 64, 612.
12. A many-body approach to the vibrational structure in molecular electronic spectra. I. Theory: L. S. Cederbaum and W. Domcke, J. Chem. Phys. 1976, 64, 603.
11. Ultraviolet photoelectron spectroscopy of gases adsorbed on metal surfaces: A. M. Bradshaw, L. S. Cederbaum and W. Domcke, Review article in "Structure and Bonding", Vol. 24, Springer-Verlag, Berlin, 1975.
10. On the interpretation of the photoelectron spectrum of CO chemisorbed on Ni: L. S. Cederbaum, W. Domcke, W. von Niessen and W. Brenig, Z. Physik B 1975, 21, 381.
9. A theoretical photoelectron spectrum of cyanogen by a Green's function method: L. S. Cederbaum, W. Domcke and W. von Niessen, Chem. Phys. 1975, 10, 459.
8. On the controversial assignment of the ionization potentials of formaldehyde: L. S. Cederbaum, W. Domcke and W. von Niessen, Chem. Phys. Lett. 1975, 34, 60.
7. On the vibrational structure in inner-shell ionization spectra by a many-body approach: W. Domcke and L. S. Cederbaum, Chem. Phys. Lett. 1975, 31, 582.
6. Plasmon coupling to core hole excitations in carbon: A. M. Bradshaw, L. S. Cederbaum, W. Domcke and U. Krause, J. Phys. C 1974, 7, 4503.
5. Plasmon effects in electron spectroscopy of graphite: A. M. Bradshaw, L. S. Cederbaum, W. Domcke and U. Krause, Proceedings of the IV International Conference on Vacuum Ultraviolet Radiation Physics, Vieweg, Braunschweig, 1974.
4. An analogue to Koopman's theorem for the problem of vibrational structure in electron detachment spectra: L. S. Cederbaum and W. Domcke, Chem. Phys. Lett. 1974, 25, 357.
3. On the vibrational structure in photoelectron spectra by the method of Green's functions: L. S. Cederbaum and W. Domcke, J. Chem. Phys. 1974, 60, 2878.
2. The spreading width of rotational doorway states: P. Fröbrich and W. Domcke, Phys. Lett. B 1973, 45, 451.
1. Shell model theory of elastic scattering of nucleons by deformed nuclei: W. Domcke and P. Fröbrich, Z. Physik 1973, 258, 1.