المؤلفون: Lucien Dupuy, Anton Rikus, Neepa T. Maitra

مصطلحات موضوعية: Biotechnology, Space Science, Environmental Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, photoexcited uracil cation, necessary velocity adjustments, algorithm somewhat reduces, ad hoc <, successfully capture dynamics, electronic equation derived, nuclear equation, adiabatic dynamics, tully models, simulating non, resulting method, powerful method, new scheme, large molecules, hopping method, hopping approach, firmer ground, denoted qtsh, decoherence corrections

Relation: https://figshare.com/articles/journal_contribution/Exact-Factorization-Based_Surface_Hopping_without_Velocity_Adjustment/25320717

الاتاحة: https://doi.org/10.1021/acs.jpclett.4c00115.s001
https://figshare.com/articles/journal_contribution/Exact-Factorization-Based_Surface_Hopping_without_Velocity_Adjustment/25320717

المؤلفون: Lucien Dupuy, Gérard Parlant, Bill Poirier, Yohann Scribano

المصدر: Chemical Physics. 572:111952

مصطلحات موضوعية: General Physics and Astronomy, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::2fa52bb8f6b0cb7e093a14bfbbde37fa
https://doi.org/10.1016/j.chemphys.2023.111952

المؤلفون: Lucien Dupuy, Francesco Talotta, Federica Agostini, David Lauvergnat, Bill Poirier, Yohann Scribano

مصطلحات موضوعية: Physical and Theoretical Chemistry, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::af6fe3e58ff2ddd17ce03403f908ba95
https://doi.org/10.26434/chemrxiv-2022-5glzl

المؤلفون: Lucien Dupuy, Gérard Parlant, Bill Poirier, Yohann Scribano

المصدر: Physics Letters A. 456:128548

مصطلحات موضوعية: General Physics and Astronomy

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::e1da1b5cb1fe0eceee2803c9b676614a
https://doi.org/10.1016/j.physleta.2022.128548

المؤلفون: Lucien Dupuy (13966529), Francesco Talotta (687245), Federica Agostini (456771), David Lauvergnat (1356882), Bill Poirier (1923898), Yohann Scribano (2264716)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Pharmacology, Sociology, Computational Biology, Space Science, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, bohmian hydrodynamic formulation, 4 – 14, quantum force arising, nonadiabatic processes within, interacting quantum trajectories, quantum dynamics using, exact factorization method, quantum trajectories, nonadiabatic dynamics, stable dynamics, nonadiabatic regime, poirier [<, phys .<, particular time, idea originates, analytical potentials, >< b, 370 ,<

Relation: https://figshare.com/articles/media/Adiabatic_and_Nonadiabatic_Dynamics_with_Interacting_Quantum_Trajectories/21344084

الاتاحة: https://doi.org/10.1021/acs.jctc.2c00744.s002

المؤلفون: Yohann Scribano, Lucien Dupuy, David Lauvergnat

المساهمون: Laboratoire Univers et Particules de Montpellier (LUPM), Université Montpellier 2 - Sciences et Techniques (UM2)-Institut National de Physique Nucléaire et de Physique des Particules du CNRS (IN2P3)-Université de Montpellier (UM)-Centre National de la Recherche Scientifique (CNRS), Institut de Chimie Physique (ICP), Institut de Chimie du CNRS (INC)-Université Paris-Saclay-Centre National de la Recherche Scientifique (CNRS), ANR-19-CE30-0039,HYTRAJ,Approche hybride de trajectoires quantiques pour les processus réactifs à basse température en phase condensée(2019)

المصدر: Chemical Physics Letters
Chemical Physics Letters, Elsevier, 2021, pp.XXX. ⟨10.1016/j.cplett.2021.139241⟩

مصطلحات موضوعية: 010304 chemical physics, Basis (linear algebra), Operator (physics), [PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus], General Physics and Astronomy, Lanczos algorithm, Context (language use), 010402 general chemistry, 01 natural sciences, 0104 chemical sciences, Reaction coordinate, [PHYS.PHYS.PHYS-COMP-PH]Physics [physics]/Physics [physics]/Computational Physics [physics.comp-ph], symbols.namesake, 0103 physical sciences, symbols, Applied mathematics, Boundary value problem, [PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph], Physical and Theoretical Chemistry, Hamiltonian (quantum mechanics), Eigenvalues and eigenvectors, Mathematics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::74a60c0c6bd26108f4c94064af983ba1
https://hal.archives-ouvertes.fr/hal-03368630