A periodic equation-of-motion coupled-cluster implementation applied to F-centers in alkaline earth oxides.

Gallo, Alejandro; Hummel, Felix; Irmler, Andreas; Grüneis, Andreas

Gallo, Alejandro; Hummel, Felix; Irmler, Andreas; Grüneis, Andreas.

Afiliação

Gallo A; Institute for Theoretical Physics, TU Wien, Wiedner Hauptstraße 8-10/136, Vienna 1040, Austria.
Hummel F; Institute for Theoretical Physics, TU Wien, Wiedner Hauptstraße 8-10/136, Vienna 1040, Austria.
Irmler A; Institute for Theoretical Physics, TU Wien, Wiedner Hauptstraße 8-10/136, Vienna 1040, Austria.
Grüneis A; Institute for Theoretical Physics, TU Wien, Wiedner Hauptstraße 8-10/136, Vienna 1040, Austria.

J Chem Phys ; 154(6): 064106, 2021 Feb 14.

Article em En | MEDLINE | ID: mdl-33588547

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Tipo de estudo: Prognostic_studies Idioma: En Revista: J Chem Phys Ano de publicação: 2021 Tipo de documento: Article País de afiliação: Áustria

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