David Lauvergnat

Centre National de la Recherche Scientifique — France

Physics and Astronomy · Physical Sciences

28h-index2.6kcitations158works3.12yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(89), Advanced Chemical Physics Studies(71), Quantum, superfluid, helium dynamics(23), Photochemistry and Electron Transfer Studies(22), Molecular spectroscopy and chirality(21)

Publications158 total

Quantum propagation using Hagedorn wave packets: generalised scheme
Molecular Physics·2025Open Access
Quantum Dynamics Predicts Coherent Oscillations in the Early Times of a Biological Photoisomerization
The Journal of Physical Chemistry Letters·2025Open Access
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
The Journal of Physical Chemistry A·2025· 21 citedOpen Access
Quantum Dynamics Predicts Coherent Oscillatory Behavior in the Early-times of a Photoisomerization Reaction
arXiv (Cornell University)·2025Open Access
Assessing the performance of coupled-trajectory schemes on full-dimensional two-state linear vibronic coupling models
The Journal of Chemical Physics·2025· 5 cited
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics
arXiv (Cornell University)·2025· 3 citedOpen Access
Assessing the performance of coupled-trajectory schemes on full-dimensional two-state linear vibronic coupling models
2024Open Access
Exact factorization of the photon–electron–nuclear wavefunction: Formulation and coupled-trajectory dynamics
The Journal of Chemical Physics·2024· 8 cited
Exact-factorisation study of the photochemistry of phenol
Molecular Physics·2024· 5 cited
Exact Factorization of the Photon-Electron-Nuclear Wavefunction: Formulation and Coupled-Trajectory Dynamics
2024· 1 citedOpen Access
Exact Factorization of the Photon-Electron-Nuclear Wavefunction: Formulation and Coupled-Trajectory Dynamics
2024· 1 citedOpen Access
Exact-factorization study of the photochemistry of phenol
2024Open Access
Adiabatic and Nonadiabatic Dynamics with Interacting Quantum Trajectories
2024Open Access
Quantum molecular dynamics simulations of the effect of secondary modes on the photoisomerization of a retinal chromophore model
2024· 1 citedOpen Access
Significance of energy conservation in coupled-trajectory approaches to non-adiabatic dynamics
2024Open Access
Efficient vibrationally correlated calculations using <i>n</i>-mode expansion-based kinetic energy operators
Physical Chemistry Chemical Physics·2024· 5 citedOpen Access
Vibrationally correlated calculations in polyspherical coordinates: Taylor expansion-based kinetic energy operators
The Journal of Chemical Physics·2023· 5 citedOpen Access
Cover Feature: Smolyak Scheme for solving the Schrödinger equation: Application to Malonaldehyde in Full Dimensionality (ChemPhysChem 21/2023)
ChemPhysChem·2023Open Access
Vibrational transitions of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si6.svg" display="inline" id="d1e2228"> <mml:mrow> <mml:msub> <mml:mrow> <mml:mtext>H</mml:mtext> </mml:mrow> <mml:mrow> <mml:mn>2</mml:mn> </mml:mrow> </mml:msub> <mml:msup> <mml:mrow> <mml:mtext>Cl</mml:mtext> </mml:mrow> <mml:mrow> <mml:mo>+</mml:mo> </mml:mrow> </mml:msup> </mml:mrow> </mml:math> : Potential energy surface and anharmonic computations
Chemical Physics Letters·2023· 2 cited
Vibrational transitions of H2Cl+: potential energy surface and anharmonic computations
2023Open Access
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Frequent Co-authors

Fabien Gatti(12), Hans‐Dieter Meyer(11), André Nauts(9), Michèle Desouter-Lecomte(6), Benjamin Lasorne(6), Philippe C. Hiberty(5), Yohann Scribano(5), David M. Benoit(5), Mamadou Ndong(4), Federica Agostini(4), Oriol Vendrell(3), Yves Justum(3), Xavier Chapuisat(3), Aurelie Perveaux(3), Zlatko Bačić(3), Michael Brill(2), L. Bomble(2), F. Remacle(2), Georges Dive(2), Sophie Blasco(2)