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David Lauvergnat

Showing results (1-10 of 52) with videos related to

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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 9, 2023
Smolyak Scheme for solving the Schrödinger equation: Application to Malonaldehyde in Full DimensionalityDavid Lauvergnat, André Nauts
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|July 18, 2013
Quantum dynamics with sparse grids: a combination of Smolyak scheme and cubature. Application to methanol in full dimensionalityDavid Lauvergnat, André Nauts
Physical Chemistry Chemical Physics : PCCP|June 29, 2010
Torsional energy levels of nitric acid in reduced and full dimensionality with ElVibRot and TnumDavid Lauvergnat, André Nauts
Physical Review Letters|June 16, 2018
Conformational Dynamics Guides Coherent Exciton Migration in Conjugated Polymer Materials: First-Principles Quantum Dynamical StudyRobert Binder, David Lauvergnat, Irene Burghardt
The Journal of Chemical Physics|March 10, 2012
Rotational excitation of H2O by para-H2 from an adiabatically reduced dimensional potentialYohann Scribano, Alexandre Faure, David Lauvergnat
Physical Chemistry Chemical Physics : PCCP|March 28, 2024
Efficient vibrationally correlated calculations using <i>n</i>-mode expansion-based kinetic energy operatorsFrederik Bader, David Lauvergnat, Ove Christiansen
The Journal of Chemical Physics|May 14, 2022
Describing the photo-isomerization of a retinal chromophore model with coupled and quantum trajectoriesFrancesco Talotta, David Lauvergnat, Federica Agostini
Journal of Chemical Theory and Computation|May 19, 2020
Vibrational Coupled Cluster Computations in Polyspherical Coordinates with the Exact Analytical Kinetic Energy OperatorEmil Lund Klinting, David Lauvergnat, Ove Christiansen
Faraday Discussions|September 22, 2018
Does cage quantum delocalisation influence the translation-rotational bound states of molecular hydrogen in clathrate hydrate?David M Benoit, David Lauvergnat, Yohann Scribano
The Journal of Chemical Physics|August 27, 2024
Exact factorization of the photon-electron-nuclear wavefunction: Formulation and coupled-trajectory dynamicsEduarda Sangiogo Gil, David Lauvergnat, Federica Agostini
Pageof 6

Showing results (1-10 of 52) with videos related to

Sort By:
Pageof 6
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 9, 2023
Smolyak Scheme for solving the Schrödinger equation: Application to Malonaldehyde in Full DimensionalityDavid Lauvergnat, André Nauts
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|July 18, 2013
Quantum dynamics with sparse grids: a combination of Smolyak scheme and cubature. Application to methanol in full dimensionalityDavid Lauvergnat, André Nauts
Physical Chemistry Chemical Physics : PCCP|June 29, 2010
Torsional energy levels of nitric acid in reduced and full dimensionality with ElVibRot and TnumDavid Lauvergnat, André Nauts
Physical Review Letters|June 16, 2018
Conformational Dynamics Guides Coherent Exciton Migration in Conjugated Polymer Materials: First-Principles Quantum Dynamical StudyRobert Binder, David Lauvergnat, Irene Burghardt
The Journal of Chemical Physics|March 10, 2012
Rotational excitation of H2O by para-H2 from an adiabatically reduced dimensional potentialYohann Scribano, Alexandre Faure, David Lauvergnat
Physical Chemistry Chemical Physics : PCCP|March 28, 2024
Efficient vibrationally correlated calculations using <i>n</i>-mode expansion-based kinetic energy operatorsFrederik Bader, David Lauvergnat, Ove Christiansen
The Journal of Chemical Physics|May 14, 2022
Describing the photo-isomerization of a retinal chromophore model with coupled and quantum trajectoriesFrancesco Talotta, David Lauvergnat, Federica Agostini
Journal of Chemical Theory and Computation|May 19, 2020
Vibrational Coupled Cluster Computations in Polyspherical Coordinates with the Exact Analytical Kinetic Energy OperatorEmil Lund Klinting, David Lauvergnat, Ove Christiansen
Faraday Discussions|September 22, 2018
Does cage quantum delocalisation influence the translation-rotational bound states of molecular hydrogen in clathrate hydrate?David M Benoit, David Lauvergnat, Yohann Scribano
The Journal of Chemical Physics|August 27, 2024
Exact factorization of the photon-electron-nuclear wavefunction: Formulation and coupled-trajectory dynamicsEduarda Sangiogo Gil, David Lauvergnat, Federica Agostini
Pageof 6