Accurate quantum-mechanical rate constants for a linear response Azzouz-Borgis proton transfer model employing the multilayer multiconfiguration time-dependent Hartree approach

Ian W. Craig; Michael Thoss; Haobin Wang

doi:10.1063/1.3624342

Article Dans Une Revue Journal of Chemical Physics Année : 2011

Accurate quantum-mechanical rate constants for a linear response Azzouz-Borgis proton transfer model employing the multilayer multiconfiguration time-dependent Hartree approach

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Ian W. Craig

Fonction : Auteur

Michael Thoss

Fonction : Auteur
PersonId : 849729

Physikalisches Institut [Erlangen]

Haobin Wang

Fonction : Auteur
PersonId : 849728

Department of Chemistry and Biochemistry [New Mexico State]

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Chimie Physique [physics]

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https://hal.science/hal-02022297

Soumis le : dimanche 17 février 2019-17:45:24

Dernière modification le : jeudi 12 octobre 2023-11:48:05

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hal-02022297 , version 1 (17-02-2019)

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HAL Id : hal-02022297 , version 1
DOI : 10.1063/1.3624342

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Ian W. Craig, Michael Thoss, Haobin Wang. Accurate quantum-mechanical rate constants for a linear response Azzouz-Borgis proton transfer model employing the multilayer multiconfiguration time-dependent Hartree approach. Journal of Chemical Physics, 2011, 135 (6), pp.064504. ⟨10.1063/1.3624342⟩. ⟨hal-02022297⟩

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Accurate quantum-mechanical rate constants for a linear response Azzouz-Borgis proton transfer model employing the multilayer multiconfiguration time-dependent Hartree approach

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