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D

David Lauvergnat

institut de chimie physique umr8000

28H指数
158论文数
2.6K被引数
收录论文 55
发表时间
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Quantum propagation using Hagedorn wave packets: generalised scheme基于Hagedorn波包的量子传播：广义方案
errMOLECULAR PHYSICS
IF1.8
err2025-09-01
err0
errOAAI
errIssa, Rabiou; Afansounoudji, Kokou Mawulonmi Robert; Sodoga, Komi; Lauvergnat, David
err分享
err收藏
Roadmap for Molecular Benchmarks in Nonadiabatic Dynamics非绝热动力学中分子基准的研究路线图
errThe Journal of Physical Chemistry A
IF0
err2025-07-15
err0
errOAAI
errLéon L. E. Cigrang; Basile F. E. Curchod; Rebecca A. Ingle; Aaron Kelly; Jonathan R. Mannouch; Davide Accomasso; Alexander Alijah; Mario Barbatti; Wiem Chebbi; Nadja Došlić; Elliot C. Eklund; Sebastian Fernandez-Alberti; Antonia Freibert; Leticia González; Giovanni Granucci; Federico J. Hernández; Javier Hernández-Rodríguez; Amber Jain; Jiří Janoš; Ivan Kassal; Adam Kirrander; Zhenggang Lan; Henrik R. Larsson; David Lauvergnat; Brieuc Le Dé; Yeha Lee; Neepa T. Maitra; Seung Kyu Min; Daniel Peláez; David Picconi; Zixing Qiu; Umberto Raucci; Patrick Robertson; Eduarda Sangiogo Gil; Marin Sapunar; Peter Schürger; Patrick Sinnott; Sergei Tretiak; Arkin Tikku; Patricia Vindel-Zandbergen; Graham A. Worth; Federica Agostini; Sandra Gómez; Lea M. Ibele; Antonio Prlj
err分享
err收藏
Assessing the performance of coupled-trajectory schemes on full-dimensional two-state linear vibronic coupling models
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-03-14
err0
PREAI
errSchurger, Peter; Ibele, Lea M.; Lauvergnat, David; Agostini, Federica
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Exact factorization of the photon-electron-nuclear wavefunction: Formulation and coupled-trajectory dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-08-27
err2
PREAI
errGil, Eduarda Sangiogo; Lauvergnat, David; Agostini, Federica
err分享
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Vibrationally correlated calculations in polyspherical coordinates: Taylor expansion-based kinetic energy operators
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-04
err4
errOAAI
errBader, F.; Lauvergnat, D.; Christiansen, O.
err分享
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Significance of Energy Conservation in Coupled-Trajectory Approaches to Nonadiabatic Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-18
err10
errOAAI
errArribas, Evaristo Villaseco; Ibele, Lea M.; Lauvergnat, David; Maitra, Neepa T.; Agostini, Federica
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The coupling of the hydrated proton to its first solvation shell
errNATURE COMMUNICATIONS
IF15.7
err2022-10-18
err25
errOAAI
errSchroeder, Markus; Gatti, Fabien; Lauvergnat, David; Meyer, Hans-Dieter; Vendrell, Oriol
err分享
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Adiabatic and Nonadiabatic Dynamics with Interacting Quantum Trajectories
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-10-17
err10
errOAAI
errDupuy, Lucien; Talotta, Francesco; Agostini, Federica; Lauvergnat, David; Poirier, Bill; Scribano, Yohann
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Representation of Diabatic Potential Energy Matrices for Multiconfiguration Time-Dependent Hartree Treatments of High-Dimensional Nonadiabatic Photodissociation Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-07-15
err5
errOAAI
errHan, Shanyu; Schroeder, Markus; Gatti, Fabien; Meyer, Hans-Dieter; Lauvergnat, David; Yarkony, David R.; Guo, Hua
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Smolyak Algorithm Adapted to a System-Bath Separation: Application to an Encapsulated Molecule with Large-Amplitude Motions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-05-18
err7
errOAAI
errChen, Ahai; Benoit, David M.; Scribano, Yohann; Nauts, Andre; Lauvergnat, David
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Describing the photo-isomerization of a retinal chromophore model with coupled and quantum trajectories
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-05-09
err10
PREAI
errTalotta, Francesco; Lauvergnat, David; Agostini, Federica
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Quantum dynamics with curvilinear coordinates: models and kinetic energy operator
errPHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
IF3.7
err2022-03-28
err6
errOAAI
errMarsili, Emanuele; Agostini, Federica; Nauts, Andre; Lauvergnat, David
err分享
err收藏
Relaxation dynamics through a conical intersection: Quantum and quantum-classical studies
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-15
err12
errOAAI
errPieroni, Carlotta; Marsili, Emanuele; Lauvergnat, David; Agostini, Federica
err分享
err收藏
Quantum and Quantum-Classical Studies of the Photoisomerization of a Retinal Chromophore Model
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-09-15
err28
errOAAI
errMarsili, Emanuele; Olivucci, Massimo; Lauvergnat, David; Agostini, Federica
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Internal Conversion and Intersystem Crossing with the Exact Factorization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-07-07
err22
errOAAI
errTalotta, Francesco; Morisset, Sabine; Rougeau, Nathalie; Lauvergnat, David; Agostini, Federica
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First-principles description of intra-chain exciton migration in an oligo(para-phenylene vinylene) chain. I. Generalized Frenkel-Holstein Hamiltonian
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-05-29
err9
errOAAI
errBinder, Robert; Bonfanti, Matteo; Lauvergnat, David; Burghardt, Irene
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Vibrational Coupled Cluster Computations in Polyspherical Coordinates with the Exact Analytical Kinetic Energy Operator
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-05-18
err13
errOAAI
errKlinting, Emil Lund; Lauvergnat, David; Christiansen, Ove
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Intramolecular stretching vibrational states and frequency shifts of (H2)2 confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-09-30
err22
errOAAI
errFelker, Peter M.; Lauvergnat, David; Scribano, Yohann; Benoit, David M.; Bacic, Zlatko
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H2 HD, and D2 in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-04-15
err24
errOAAI
errLauvergnat, David; Felker, Peter; Scribano, Yohann; Benoit, David M.; Bacic, Zlatko
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A generalized vibronic-coupling Hamiltonian for molecules without symmetry: Application to the photoisomerization of benzopyran
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-03-27
err9
errOAAI
errGonon, Benjamin; Lasorne, Benjamin; Karras, Gabriel; Joubert-Doriol, Loic; Lauvergnat, David; Billard, Franck; Lavorel, Bruno; Faucher, Olivier; Guerin, Stephane; Hertz, Edouard; Gatti, Fabien
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