| Multidimensional quantum dynamics: MCTDH theory and applications HD Meyer, F Gatti, GA Worth John Wiley & Sons, 2009 | 919 | 2009 |
| Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics O Vendrell, F Gatti, HD Meyer The Journal of chemical physics 127 (18), 2007 | 258 | 2007 |
| Calculation and selective population of vibrational levels with the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm HD Meyer, F Le Quéré, C Léonard, F Gatti Chemical physics 329 (1-3), 179-192, 2006 | 255 | 2006 |
| Dynamics and infrared spectroscopy of the protonated water dimer O Vendrell, F Gatti, HD Meyer arXiv preprint physics/0701292, 2007 | 207 | 2007 |
| Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach F Gatti, C Iung Physics Reports 484 (1-2), 1-69, 2009 | 182 | 2009 |
| Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state O Vendrell, F Gatti, D Lauvergnat, HD Meyer The Journal of chemical physics 127 (18), 2007 | 176 | 2007 |
| Vector parametrization of the n-atom problem in quantum mechanics. I. Jacobi vectors F Gatti, C Iung, M Menou, Y Justum, A Nauts, X Chapuisat The Journal of chemical physics 108 (21), 8804-8820, 1998 | 167 | 1998 |
| Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time-dependent Hartree method LJ Doriol, F Gatti, C Iung, HD Meyer The Journal of chemical physics 129 (22), 2008 | 142 | 2008 |
| Determination of a flexible (12D) water dimer potential via direct inversion of spectroscopic data C Leforestier, F Gatti, RS Fellers, RJ Saykally The Journal of chemical physics 117 (19), 8710-8722, 2002 | 141 | 2002 |
| Theoretical studies of the tunneling splitting of malonaldehyde using the multiconfiguration time-dependent Hartree approach M Schröder, F Gatti, HD Meyer The Journal of chemical physics 134 (23), 2011 | 115 | 2011 |
| Full dimensional (15 dimensional) quantum-dynamical simulation of the protonated water-dimer IV: Isotope effects in the infrared spectra of D (D2O) 2+, H (D2O) 2+, and D (H2O … O Vendrell, F Gatti, HD Meyer The Journal of chemical physics 131 (3), 2009 | 107 | 2009 |
| A study of the mode-selective trans–cis isomerization in HONO using ab initio methodology F Richter, M Hochlaf, P Rosmus, F Gatti, HD Meyer The Journal of chemical physics 120 (3), 1306-1317, 2004 | 107 | 2004 |
| Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point … O Vendrell, M Brill, F Gatti, D Lauvergnat, HD Meyer The Journal of chemical physics 130 (23), 2009 | 102 | 2009 |
| Strong isotope effects in the infrared spectrum of the Zundel cation O Vendrell, F Gatti, HD Meyer Angewandte Chemie International Edition 48 (2), 352-355, 2009 | 98 | 2009 |
| Vector parametrization of the N-atom problem in quantum mechanics. II. Coupled-angular-momentum spectral representations for four-atom systems F Gatti, C Iung, M Menou, X Chapuisat The Journal of chemical physics 108 (21), 8821-8829, 1998 | 90 | 1998 |
| Fully coupled 6D calculations of the ammonia vibration-inversion-tunneling states with a split Hamiltonian pseudospectral approach F Gatti, C Iung, C Leforestier, X Chapuisat The Journal of chemical physics 111 (16), 7236-7243, 1999 | 89 | 1999 |
| A general expression of the exact kinetic energy operator in polyspherical coordinates F Gatti, C Munoz, C Iung The Journal of Chemical Physics 114 (19), 8275-8281, 2001 | 87 | 2001 |
| Applications of quantum dynamics in chemistry F Gatti, B Lasorne, HD Meyer, A Nauts Springer, 2017 | 73 | 2017 |
| Quantum-mechanical description of rigidly or adiabatically constrained molecular systems F Gatti, Y Justum, M Menou, A Nauts, X Chapuisat Journal of Molecular Spectroscopy 181 (2), 403-423, 1997 | 72 | 1997 |
| Quantum dynamics of dissociative chemisorption of CH4 on Ni (111): Influence of the bending vibration GP Krishnamohan, RA Olsen, GJ Kroes, F Gatti, S Woittequand The Journal of chemical physics 133 (14), 2010 | 71 | 2010 |
Hans-Dieter Meyerapl Professor, Theoretical Chemistry, Heidelberg University, GermanyVerified email at pci.uni-heidelberg.de
