Fabien Gatti
Fabien Gatti
Research professor CNRS, University Paris Saclay
Verified email at u-psud.fr
Title
Cited by
Cited by
Year
Multidimensional quantum dynamics: MCTDH theory and applications
HD Meyer, F Gatti, GA Worth
John Wiley & Sons, 2009
6562009
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), 184303, 2007
2042007
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
1952006
Dynamics and infrared spectroscopy of the protonated water dimer
O Vendrell, F Gatti, HD Meyer
Angewandte Chemie International Edition 46 (36), 6918-6921, 2007
1692007
Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach
F Gatti, C Iung
Physics reports 484 (1-2), 1-69, 2009
1442009
Vector parametrization of the -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
1421998
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), 184302, 2007
1392007
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
1292002
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), 224109, 2008
1052008
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
892004
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), 234307, 2011
882011
Full dimensional (15 dimensional) quantum-dynamical simulation of the protonated water-dimer IV: Isotope effects in the infrared spectra of , , and …
O Vendrell, F Gatti, HD Meyer
The Journal of chemical physics 131 (3), 034308, 2009
842009
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
842009
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), 234305, 2009
822009
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
821999
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
792001
Vector parametrization of the -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
761998
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
741997
Quantum dynamics of dissociative chemisorption of 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), 144308, 2010
662010
Rotational excitation cross sections of collisions. A full-dimensional wave-packet propagation study using an exact form of the kinetic energy
F Gatti, F Otto, S Sukiasyan, HD Meyer
The Journal of chemical physics 123 (17), 174311, 2005
582005
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Articles 1–20