Calculation of reactive flux correlation functions for systems in a condensed phase environment: A multilayer multiconfiguration time-dependent Hartree approach

Haobin Wang; David Skinner; Michael Thoss

doi:10.1063/1.2363195

Article Dans Une Revue Journal of Chemical Physics Année : 2006

Calculation of reactive flux correlation functions for systems in a condensed phase environment: A multilayer multiconfiguration time-dependent Hartree approach

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Haobin Wang

Fonction : Auteur
PersonId : 849728

Department of Chemistry and Biochemistry [New Mexico State]

David Skinner

Fonction : Auteur

National Energy Research Scientific Computing Center

Michael Thoss

Fonction : Auteur
PersonId : 849729

Theoretische Chemie, TU Munchen, Germany

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Chimie Physique [physics]

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https://hal.science/hal-02021961

Soumis le : dimanche 17 février 2019-08:07:19

Dernière modification le : lundi 13 novembre 2023-10:56:04

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hal-02021961 , version 1 (17-02-2019)

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HAL Id : hal-02021961 , version 1
DOI : 10.1063/1.2363195

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Haobin Wang, David Skinner, Michael Thoss. Calculation of reactive flux correlation functions for systems in a condensed phase environment: A multilayer multiconfiguration time-dependent Hartree approach. Journal of Chemical Physics, 2006, 125 (17), pp.174502. ⟨10.1063/1.2363195⟩. ⟨hal-02021961⟩

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Calculation of reactive flux correlation functions for systems in a condensed phase environment: A multilayer multiconfiguration time-dependent Hartree approach

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