The multi-configurational time-dependent Hartree approach HD Meyer, U Manthe, LS Cederbaum
Chemical Physics Letters 165 (1), 73-78, 1990
2158 1990 Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl U Manthe, HD Meyer, LS Cederbaum
The Journal of chemical physics 97 (5), 3199-3213, 1992
1068 1992 A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces U Manthe
The Journal of chemical physics 128 (16), 2008
407 2008 First-principles theory for the H+ CH4→ H2+ CH3 reaction T Wu, HJ Werner, U Manthe
Science 306 (5705), 2227-2229, 2004
273 2004 Full‐dimensional quantum mechanical calculation of the rate constant for the H2 +OH→H2 O+H reaction U Manthe, T Seideman, WH Miller
The Journal of chemical physics 99 (12), 10078-10081, 1993
255 1993 Predicting catalysis: Understanding ammonia synthesis from first-principles calculations A Hellman, EJ Baerends, M Biczysko, T Bligaard, CH Christensen, ...
The Journal of Physical Chemistry B 110 (36), 17719-17735, 2006
230 2006 Dynamics on potential energy surfaces with a conical intersection: Adiabatic, intermediate, and diabatic behavior U Manthe, H Köppel
The Journal of chemical physics 93 (3), 1658-1669, 1990
227 1990 Full dimensional quantum calculations of the reaction rate F Huarte-Larrañaga, U Manthe
The Journal of Chemical Physics 113 (13), 5115-5118, 2000
207 2000 The cumulative reaction probability as eigenvalue problem U Manthe, WH Miller
The Journal of chemical physics 99 (5), 3411-3419, 1993
203 1993 Multiconfigurational time‐dependent Hartree study of complex dynamics: Photodissociation of NO2 U Manthe, HD Meyer, LS Cederbaum
The Journal of chemical physics 97 (12), 9062-9071, 1992
203 1992 A time‐dependent discrete variable representation for (multiconfiguration) Hartree methods U Manthe
The Journal of chemical physics 105 (16), 6989-6994, 1996
197 1996 New method for calculating wave packet dynamics: Strongly coupled surfaces and the adiabatic basis U Manthe, H Köppel
The Journal of chemical physics 93 (1), 345-356, 1990
196 1990 Time‐dependent photodissociation of methyl iodide with five active modes AD Hammerich, U Manthe, R Kosloff, HD Meyer, LS Cederbaum
The Journal of chemical physics 101 (7), 5623-5646, 1994
195 1994 Quantum mechanical calculations of the rate constant for the H2 +OH→H+H2 O reaction: Full‐dimensional results and comparison to reduced dimensionality models U Manthe, T Seideman, WH Miller
The Journal of chemical physics 101 (6), 4759-4768, 1994
182 1994 Comparison of Quantum Dynamics and Quantum Transition State Theory Estimates of the H + CH4 Reaction Rate S Andersson, G Nyman, A Arnaldsson, U Manthe, H Jónsson
The Journal of Physical Chemistry A 113 (16), 4468-4478, 2009
171 2009 Accurate quantum calculations of thermal rate constants employing MCTDH: and F Matzkies, U Manthe
The Journal of chemical physics 108 (12), 4828-4836, 1998
170 1998 Quantum Dynamics of the CH4 + H → CH3 + H2 Reaction: Full-Dimensional and Reduced Dimensionality Rate Constant Calculations F Huarte-Larrañaga, U Manthe
The Journal of Physical Chemistry A 105 (12), 2522-2529, 2001
132 2001 Layered discrete variable representations and their application within the multiconfigurational time-dependent Hartree approach U Manthe
The Journal of chemical physics 130 (5), 2009
130 2009 The ground state tunneling splitting of malonaldehyde: Accurate full dimensional quantum dynamics calculations MD Coutinho-Neto, A Viel, U Manthe
The Journal of chemical physics 121 (19), 9207-9210, 2004
129 2004 Vibrational excitation in the transition state: The reaction rate constant in an extended temperature interval F Huarte-Larrañaga, U Manthe
The Journal of chemical physics 116 (7), 2863-2869, 2002
128 2002