On the inclusion of the diagonal Born-Oppenheimer correction in surface hopping methods.

Gherib, Rami; Ye, Liyuan; Ryabinkin, Ilya G; Izmaylov, Artur F

Gherib, Rami; Ye, Liyuan; Ryabinkin, Ilya G; Izmaylov, Artur F.

Afiliação

Gherib R; Department of Physical and Environmental Sciences, University of Toronto Scarborough, Toronto, Ontario M1C 1A4, Canada.
Ye L; Department of Physical and Environmental Sciences, University of Toronto Scarborough, Toronto, Ontario M1C 1A4, Canada.
Ryabinkin IG; Department of Physical and Environmental Sciences, University of Toronto Scarborough, Toronto, Ontario M1C 1A4, Canada.
Izmaylov AF; Department of Physical and Environmental Sciences, University of Toronto Scarborough, Toronto, Ontario M1C 1A4, Canada.

J Chem Phys ; 144(15): 154103, 2016 Apr 21.

Article em En | MEDLINE | ID: mdl-27389205

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Canadá

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