All-electron real-time and imaginary-time time-dependent density functional theory within a numeric atom-centered basis function framework.

Hekele, Joscha; Yao, Yi; Kanai, Yosuke; Blum, Volker; Kratzer, Peter

Hekele, Joscha; Yao, Yi; Kanai, Yosuke; Blum, Volker; Kratzer, Peter.

Afiliación

Hekele J; Faculty of Physics, University of Duisburg-Essen, Lotharstr. 1, 47057 Duisburg, Germany.
Yao Y; Thomas Lord Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA.
Kanai Y; Department of Chemistry, University of North Carolina, Chapel Hill, North Carolina 27599, USA.
Blum V; Thomas Lord Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA.
Kratzer P; Faculty of Physics, University of Duisburg-Essen, Lotharstr. 1, 47057 Duisburg, Germany.

J Chem Phys ; 155(15): 154801, 2021 Oct 21.

Article en En | MEDLINE | ID: mdl-34686041

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Phys Año: 2021 Tipo del documento: Article País de afiliación: Alemania Pais de publicación: Estados Unidos

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