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André NAUTS

Chercheur
Groupe TheoSim
ContactCourriel : andre.nauts@universite-paris-saclay.fr
LocalisationBât 349
Informations
complémentaires
Travaux et publications


Publications récentes
Numerical on-the-fly implementation of the action of the kinetic energy operator on a vibrational wave function: application to methanol.
Nauts, André; Lauvergnat, David
Mol. Phys. 116:3701−3709 (2018)  
Numerical and exact kinetic energy operator using Eckart conditions with one or several reference geometries: Application to HONO.
Lauvergnat, David; Luis, Josep Maria; Kirtman, Bernard;Reis, Heribert; Nauts, André
J. Chem. Phys. 144:084116 (2016)  
Quantum dynamics with sparse grids: A combination of Smolyak scheme and cubature. Application to methanol in full dimensionality.
Lauvergnat, David; Nauts, Andre
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 119:18−25 (2014)  
Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach: General formulation and removal of singularities.
Ndong, Mamadou; Nauts, André; Joubert-Doriol, Loïc; Meyer, Hans-Dieter; Gatti, Fabien; Lauvergnat, David
J. Chem. Phys. 139:204107 (2013)  
Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach.
Ndong, Mamadou; Joubert-Doriol, Loic; Meyer, Hans-Dieter; Nauts, Andre; Gatti, Fabien; Lauvergnat, David
J. Chem. Phys. 136:034107 (2012)