| The multi-configurational time-dependent Hartree approach HD Meyer, U Manthe, LS Cederbaum Chemical Physics Letters 165 (1), 73-78, 1990 | 2150 | 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 | 406 | 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→H2O+H reaction U Manthe, T Seideman, WH Miller The Journal of chemical physics 99 (12), 10078-10081, 1993 | 254 | 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+H2O 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 | 170 | 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 |
