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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
9302009
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
2602007
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
2572006
Dynamics and infrared spectroscopy of the protonated water dimer
O Vendrell, F Gatti, HD Meyer
arXiv preprint physics/0701292, 2007
2112007
Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach
F Gatti, C Iung
Physics Reports 484 (1-2), 1-69, 2009
1832009
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
1802007
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
1681998
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
1452008
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
1412002
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
1172011
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
1082009
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
1082004
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
1032009
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
982009
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
901998
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
892001
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
891999
Applications of quantum dynamics in chemistry
F Gatti, B Lasorne, HD Meyer, A Nauts
Springer, 2017
762017
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
722010
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
721997
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