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Domcke, Wolfgang

Computed

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Research Profile

Latest Publications

1.
2012

Gelin Maxim F.; Sharp Leah Z.; Egorova Dassia; Domcke Wolfgang

Bath-induced correlations and relaxation of vibronic dimers
J. Chem. Phys. 136, 034507 (2012)
Department of Chemistry, Technische Universität München, D-85747 Garching, Germany
2.
2011

Gelin Maxim F.; Egorova Dassia; Domcke Wolfgang

Exact quantum master equation for a molecular aggregate coupled to a harmonic bath
Phys. Rev. E 84, 041139 (2011)
Department of Chemistry, Technische Universität München, D-85747 Garching, Germany
3.
2011

Opalka Daniel; Poluyanov Leonid V.; Domcke Wolfgang

Relativistic Jahn-Teller effects in the photoelectron spectra of tetrahedral P4, As4, Sb4, and Bi4
J. Chem. Phys. 135, 104108 (2011)
Department of Chemistry, Technische Universität München, D-85747 Garching, Germany

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All Publications

1.
2012

Gelin Maxim F.; Sharp Leah Z.; Egorova Dassia; Domcke Wolfgang

Bath-induced correlations and relaxation of vibronic dimers
J. Chem. Phys. 136, 034507 (2012)
Department of Chemistry, Technische Universität München, D-85747 Garching, Germany
2.
2011

Gelin Maxim F.; Egorova Dassia; Domcke Wolfgang

Exact quantum master equation for a molecular aggregate coupled to a harmonic bath
Phys. Rev. E 84, 041139 (2011)
Department of Chemistry, Technische Universität München, D-85747 Garching, Germany
3.
2011

Opalka Daniel; Poluyanov Leonid V.; Domcke Wolfgang

Relativistic Jahn-Teller effects in the photoelectron spectra of tetrahedral P4, As4, Sb4, and Bi4
J. Chem. Phys. 135, 104108 (2011)
Department of Chemistry, Technische Universität München, D-85747 Garching, Germany
4.
2010

Opalka Daniel; Domcke Wolfgang

High-order expansion of T2×t2 Jahn–Teller potential-energy surfaces in tetrahedral molecules
J. Chem. Phys. 132, 154108 (2010)
Department of Chemistry, Technische Universität München, Garching D-85747, Germany
5.
2010

Opalka Daniel; Segado Mireia; Poluyanov Leonid V.; Domcke Wolfgang

Relativistic Jahn-Teller effect in tetrahedral systems
Phys. Rev. A 81, 042501 (2010)
Department of Chemistry, Technische Universität München, D-85747 Garching, Germany
6.
2010

Sharp Leah Z.; Egorova Dassia; Domcke Wolfgang

Efficient and accurate simulations of two-dimensional electronic photon-echo signals: Illustration for a simple model of the Fenna–Matthews–Olson complex
J. Chem. Phys. 132, 014501 (2010)
Department of Chemistry, Technische Universität München, D-85747 Garching, Germany
7.
2009

Gelin Maxim F.; Egorova Dassia; Domcke Wolfgang

Efficient calculation of the polarization induced by N coherent laser pulses
J. Chem. Phys. 131, 194103 (2009)
Department of Chemistry, Technische Universität München, D-85747 Garching, Germany
8.
2009

Gelin Maxim F.; Egorova Dassia; Domcke Wolfgang

Manipulating electronic couplings and nonadiabatic nuclear dynamics with strong laser pulses
J. Chem. Phys. 131, 124505 (2009)
Department of Chemistry, Technische Universität München, D-85747 Garching, Germany
9.
2009

Carrera A.; Nielsen I. B.; Çarçabal P.; Dedonder C.; Broquier M.; Jouvet C.; Domcke W.; Sobolewski A. L.

Biradicalic excited states of zwitterionic phenol-ammonia clusters
J. Chem. Phys. 130, 024302 (2009)
University of Buenos Aires, Ciudad Universitaria, 3er piso, Pab. II, 1428 Buenos Aires, Argentina
10.
2008

Vieuxmaire Olivier P. J.; Lan Zhenggang; Sobolewski Andrzej L.; Domcke Wolfgang

Ab initio characterization of the conical intersections involved in the photochemistry of phenol
J. Chem. Phys. 129, 224307 (2008)
Department of Chemistry, Technische Universität München, D-85747 Garching, ;Germany
11.
2008

Poluyanov Leonid V.; Domcke Wolfgang

Relativistic E×T; Jahn–Teller effect in tetrahedral systems
J. Chem. Phys. 129, 224102 (2008)
Institute of Chemical Physics, Academy of Sciences, Chernogolovka, Moscow 142432, Russia
12.
2008

Egorova Dassia; Gelin Maxim F.; Thoss Michael; Wang Haobin; Domcke Wolfgang

Effects of intense femtosecond pumping on ultrafast electronic-vibrational dynamics in molecular systems with relaxation
J. Chem. Phys. 129, 214303 (2008)
Department of Chemistry, Technische Universität München, D-85747 Garching, ;Germany
13.
2008

Sioutis Ilias; Mishra Sabyashachi; Poluyanov Leonid V.; Domcke Wolfgang

Renner-Teller and spin-orbit vibronic coupling effects in linear triatomic molecules with a half-filled π; shell
J. Chem. Phys. 128, 124318 (2008)
Department of Chemistry, Technical University of Munich, D-85747 Garching, Germany
14.
2007

Mishra Sabyashachi; Poluyanov Leonid V.; Domcke Wolfgang

Spin-orbit vibronic coupling in ³Π; states of linear triatomic molecules
J. Chem. Phys. 126, 134312 (2007)
Department of Chemistry, Technical University of Munich, D-85747 Garching, Germany
15.
2007

Egorova Dassia; Gelin Maxim F.; Domcke Wolfgang

Analysis of cross peaks in two-dimensional electronic photon-echo spectroscopy for simple models with vibrations and dissipation
J. Chem. Phys. 126, 074314 (2007)
Department of Chemistry, Technical University of Munich, D-85747 Garching, Germany
16.
2007

Čížek Martin; Horáček Jiří; Domcke Wolfgang

Long-lived anionic states of H2, HD, D2, and T2
Phys. Rev. A 75, 012507 (2007)
Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University, V Holešovičkách 2, Praha, Czech Republic;
17.
2006

Mishra Sabyashachi; Vallet Valérie; Poluyanov Leonid V.; Domcke Wolfgang

Calculation of the vibronic structure of the photodetachment spectra of CCCl^-; and CCBr^-;
J. Chem. Phys. 125, 164327 (2006)
Department of Chemistry, Technical University of Munich, D-85747 Garching, Germany
18.
2006

Abe Mayumi; Lan Zhenggang; Fujimura Yuichi; Ohtsuki Yukiyoshi; Domcke Wolfgang

Geometric phase effects in the coherent control of the branching ratio of photodissociation products of phenol
J. Chem. Phys. 124, 224316 (2006)
Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan
19.
2006

Viel Alexandra; Domcke Wolfgang; Neumann Stefanie; Eisfeld Wolfgang; Manthe Uwe

Photoionization-induced dynamics of ammonia: Ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation
J. Chem. Phys. 124, 214306 (2006)
Laboratoire de Physique des Atomes, Lasers, Molécules et Surfaces (PALMS), CNRS UMR 6627, Université de Rennes 1, Campus de Beaulieu, F-35042 Rennes, France;
20.
2006

Horáček J.; Čížek M.; Houfek K.; Kolorenč P.; Domcke W.

Dissociative electron attachment and vibrational excitation of H2 by low-energy electrons: Calculations based on an improved nonlocal resonance model. II. Vibrational excitation
Phys. Rev. A 73, 022701 (2006)
Charles University, Faculty of Mathematics and Physics, Prague, Czech Republic
21.
2006

Mishra Sabyashachi; Poluyanov Leonid V.; Vallet Valérie; Domcke Wolfgang

Calculation of the vibronic structure of the X~ ;²Π; photoelectron spectra of XCN, X=;F, Cl, and Br
J. Chem. Phys. 124, 044317 (2006)
Department of Chemistry, Technical University of Munich, D-85747 Garching, Germany
22.
2005

Mahapatra S.; Vallet V.; Woywod C.; Köppel H.; Domcke W.

Remarkable impact of intermode couplings on multimode vibronic dynamics: the photoelectron spectrum of CH3F
J. Chem. Phys. 123, 231103 (2005)
School of Chemistry, University of Hyderabad, Hyderabad 500 046, India
23.
2005

Gelin Maxim F.; Egorova Dassia; Domcke Wolfgang

Efficient method for the calculation of time- and frequency-resolved four-wave mixing signals and its application to photon-echo spectroscopy
J. Chem. Phys. 123, 164112 (2005)
Department of Chemistry, Technical University of Munich, D-85747 Garching, Germany and Department of Chemistry and Biochemistry, College Park, University of Maryland, Maryland 20742-4454
24.
2005

Abe Mayumi; Ohtsuki Yukiyoshi; Fujimura Yuichi; Domcke Wolfgang

Optimal control of ultrafast cis-trans photoisomerization of retinal in rhodopsin via a conical intersection
J. Chem. Phys. 123, 144508 (2005)
Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan
25.
2005

Vallet Valérie; Lan Zhenggang; Mahapatra Susanta; Sobolewski Andrzej L.; Domcke Wolfgang

Photochemistry of pyrrole: Time-dependent quantum wave-packet description of the dynamics at the ¹πσ;^*-S0 conical intersections
J. Chem. Phys. 123, 144307 (2005)
Department of Chemistry, Technical University of Munich, Garching D-8574 7, Germany and Laboratoire de Physique des Lasers, Atomes et Molécules (PhLAM), Unité Mixte de Recherche—Centre National de la Recherche Scientifique (UMR-CNRS) 8523, Centre d’tudes et de Recherches Lasers et Applications, Université des Sciences et Technologies de Lille, Villeneuve d'Ascq Cedex 59655, France;
26.
2005

Mishra Sabyashachi; Vallet Valerie; Poluyanov Leonid V.; Domcke Wolfgang

Spectroscopic effects of first-order relativistic vibronic coupling in linear triatomic molecules
J. Chem. Phys. 123, 124104 (2005)
Department of Chemistry, Technical University of Munich, D-85747 Garching, Germany
27.
2005

Golser R.; Gnaser H.; Kutschera W.; Priller A.; Steier P.; Wallner A.; Čížek M.; Horáček J.; Domcke W.

Experimental and Theoretical Evidence for Long-Lived Molecular Hydrogen Anions H2^- and D2^-
Phys. Rev. Lett. 94, 223003 (2005)
VERA Laboratory, Institut für Isotopenforschung und Kernphysik, Universität Wien, A-1090 Wien, Austria;
28.
2005

Lan Zhenggang; Domcke Wolfgang; Vallet Valérie; Sobolewski Andrzej L.; Mahapatra Susanta

Time-dependent quantum wave-packet description of the ¹πσ;^* photochemistry of phenol
J. Chem. Phys. 122, 224315 (2005)
Department of Chemistry, Technical University of Munich, Garching D-85747, Germany
29.
2005

Sobolewski Andrzej L.; Domcke Wolfgang

Photochemistry of water: The (H2O)5 cluster
J. Chem. Phys. 122, 184320 (2005)
Institute of Physics, Polish Academy of Sciences, PL-02668 Warsaw, Poland
30.
2005

Egorova Dassia; Gelin Maxim F.; Domcke Wolfgang

Time- and frequency-resolved fluorescence spectra of nonadiabatic dissipative systems: What photons can tell us
J. Chem. Phys. 122, 134504 (2005)
Department of Chemistry, Technical University of Munich, D-85747 Garching, Germany
31.
2004

Horáček J.; Čížek M.; Houfek K.; Kolorenč P.; Domcke W.

Dissociative electron attachment and vibrational excitation of H2 by low-energy electrons: Calculations based on an improved nonlocal resonance model
Phys. Rev. A 70, 052712 (2004)
Institute of Theoretical Physics, Charles University, Prague, Czech Republic
32.
2004

Čížek M.; Thoss M.; Domcke W.

Theory of vibrationally inelastic electron transport through molecular bridges
Phys. Rev. B 70, 125406 (2004)
Institute of Physical and Theoretical Chemistry, Technical University of Munich, D-85747 Garching, Germany
33.
2004

Viel Alexandra; Krawczyk Robert P.; Manthe Uwe; Domcke Wolfgang

Photoinduced dynamics of ethene in the N,V, and Z valence states: A six-dimensional nonadiabatic quantum dynamics investigation
J. Chem. Phys. 120, 11000 (2004)
Department of Chemistry, Technical University of Munich, D-85747 Garching, Germany;
34.
2003

Egorova Dassia; Thoss Michael; Domcke Wolfgang; Wang Haobin

Modeling of ultrafast electron-transfer processes: Validity of multilevel Redfield theory
J. Chem. Phys. 119, 2761 (2003)
Institute of Physical and Theoretical Chemistry, Technical University of Munich, D-85748 Garching, Germany;
35.
2003

Krawczyk Robert P.; Viel Alexandra; Manthe Uwe; Domcke Wolfgang

Photoinduced dynamics of the valence states of ethene: A six-dimensional potential-energy surface of three electronic states with several conical intersections
J. Chem. Phys. 119, 1397 (2003)
Institute of Physical and Theoretical Chemistry, Technical University of Munich, D-85747 Garching, Germany;
36.
2003

Woywod Clemens; Scharfe Sandra; Krawczyk Robert; Domcke Wolfgang; Köppel Horst

Theoretical investigation of Jahn–Teller and pseudo-Jahn–Teller interactions in the ammonia cation
J. Chem. Phys. 118, 5880 (2003)
Institute of Physical and Theoretical Chemistry, Technical University of Munich, D-85747 Garching, Germany;
37.
2003

Gelin M. F.; Egorova D.; Pisliakov A. V.; Domcke W.

A simple model for the calculation of nonlinear optical response functions and femtosecond time-resolved spectra
J. Chem. Phys. 118, 5287 (2003)
Institute of Molecular and Atomic Physics, National Academy of Sciences of Belarus, Skaryna Avenue, 70, Minsk, 220072, Belarus
38.
2002

Gelin M. F.; Pisliakov A. V.; Domcke W.

Time- and frequency-gated spontaneous emission as a tool for studying vibrational dynamics in the excited state
Phys. Rev. A 65, 062507 (2002)
Institute of Molecular and Atomic Physics, National Academy of Sciences of Belarus, Skaryna Avenue, 70, Minsk 220072, Belarus
39.
2002

Belyaev A. K.; Tiukanov A. S.; Domcke W.

Generalized diatomics-in-molecules method for polyatomic anions
Phys. Rev. A 65, 012508 (2002)
Department of Theoretical Physics, A. I. Herzen University of Russia, St. Petersburg 191186, Russia
40.
2002

Kühl Axel; Domcke Wolfgang

Multilevel Redfield description of the dissipative dynamics at conical intersections
J. Chem. Phys. 116, 263 (2002)
Institute of Physical and Theoretical Chemistry, Technical University of Munich, D-85747 Garching, Germany;
41.
2001

Čížek M.; Horáček J.; Sergenton A.-Ch.; Popović D. B.; Allan M.; Domcke W.; Leininger T.; Gadea F. X.

Inelastic low-energy electron collisions with the HBr and DBr molecules: Experiment and theory
Phys. Rev. A 63, 062710 (2001)
Department of Theoretical Physics, Faculty of Mathematics and Physics, Charles University Prague, V Holešovičkách 2, 180 00 Praha 8, Czech Republic;
42.
1999

Čı´žek M.; Horáček J.; Domcke W.

Associative detachment, dissociative attachment, and vibrational excitation of HCl by low-energy electrons
Phys. Rev. A 60, 2873 (1999)
Department of Theoretical Physics, Faculty of Mathematics and Physics, Charles University Prague, V Holešovičkách 2, 180 00 Praha 8, Czech Republic;

Co-authors

Co-publications
11

Egorova, Dassia
10

Gelin, Maxim F.
8

Poluyanov, Leonid V.
6

Čížek, Martin
6

Horáček, Jiří
6

Vallet, Valérie
5

Mishra, Sabyashachi
5

Sobolewski, Andrzej L.
4

Lan, Zhenggang
3

Krawczyk, Robert P.
3

Manthe, Uwe
3

Viel, Alexandra
3

Thoss, Michael
3

Mahapatra, Susanta
2

Pisliakov, AV