David Lauvergnat - Concepedia

Author

David Lauvergnat

Also Known As

D Lauvergnat, D. Lauvergnat, David Lauvergnat, David M. Lauvergnat, Jain, Amber, Lauvergnat, D., Lauvergnat, David, Nauts, André

158

Publications

2.6K

Citations

H-Index

Concepts

All Affiliations

Laboratoire de Chimie Physique Université Paris-Sud Centre National de la Recherche Scientifique Université de Montpellier Institut Charles Gerhardt Montpellier

About

David Lauvergnat is an author at Laboratoire de Chimie Physique specializing in engineering, quantum chemistry, and natural sciences.

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	26	44	1.8K
2	Natural Sciences	25	43	1.7K
3	Applied Physics	14	17	575
4	Biochemistry	3	3	176
5	Health Sciences	1	1	14

David Lauvergnat

Publications

2.3K

Citations

H-Index

Page 1

	Year	Citations
Exact numerical computation of a kinetic energy operator in curvilinear coordinates David Lauvergnat, André Nauts The Journal of Chemical Physics Numerical AnalysisEngineeringExact Numerical ComputationComplex SystemsComputational Chemistry	2002	206
Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state Oriol Vendrell, Fabien Gatti, David Lauvergnat, The Journal of Chemical Physics Quantum DynamicEngineeringMany-body Quantum PhysicComputational ChemistryChemistry	2007	163
Role of Conjugation in the Stabilities and Rotational Barriers of Formamide and Thioformamide. An ab Initio Valence-Bond Study David Lauvergnat, Philippe C. Hiberty Journal of the American Chemical Society Resonance StabilizationEngineeringBiochemistryNatural SciencesChemical Bond	1997	136
Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum Oriol Vendrell, Michael Brill, Fabien Gatti, The Journal of Chemical Physics EngineeringComputational ChemistryChemistryEnergy MinimizationElectronic Excited State	2009	99
Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis Yohann Scribano, David Lauvergnat, David M. Benoit The Journal of Chemical Physics EngineeringMechanical EngineeringComputational ChemistryStructural OptimizationComputational Mechanics	2010	73
Quantum dynamics with sparse grids: A combination of Smolyak scheme and cubature. Application to methanol in full dimensionality David Lauvergnat, André Nauts Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy Quantum DynamicQuantum ScienceQuantum Lattice SystemEngineeringQuantum Computing	2013	67
Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach Mamadou Ndong, Loïc Joubert-Doriol, Hans‐Dieter Meyer, The Journal of Chemical Physics Numerical AnalysisEngineeringPolyspherical CoordinatesComputational ChemistryComputational Mechanics	2012	65
Conformational Dynamics Guides Coherent Exciton Migration in Conjugated Polymer Materials: First-Principles Quantum Dynamical Study Robert Binder, David Lauvergnat, Irène Burghardt Physical Review Letters	2018	60
Comparison of C−Cl and Si−Cl Bonds. A Valence Bond Study David Lauvergnat, Philippe C. Hiberty, David Danovich, The Journal of Physical Chemistry Materials ScienceInorganic ChemistryVb CalculationsEngineeringPhysics	1996	49
Torsional energy levels of nitric acid in reduced and full dimensionality with ElVibRot and Tnum David Lauvergnat, André Nauts Physical Chemistry Chemical Physics	2010	46

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