Mixed quantum-classical approach to model non-adiabatic electron-nuclear dynamics: Detailed balance and improved surface hopping method. | J Chem Phys;153(7): 074116, 2020 Aug 21. | MEDLINE

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Mixed quantum-classical approach to model non-adiabatic electron-nuclear dynamics: Detailed balance and improved surface hopping method.

Stolyarov, E V; White, A J; Mozyrsky, D.

Affiliation

Stolyarov EV; Institute of Physics of the National Academy of Sciences of Ukraine, pr. Nauky 46, 03028 Kyiv, Ukraine.
White AJ; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.
Mozyrsky D; Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, USA.

J Chem Phys ; 153(7): 074116, 2020 Aug 21.

Article in En | MEDLINE | ID: mdl-32828087

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2020 Document type: Article Affiliation country: Country of publication:

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Phys Year: 2020 Document type: Article Affiliation country: Country of publication: