Accurate excited-state energetics by a combination of Monte Carlo sampling and equation-of-motion coupled-cluster computations.

Deustua, J Emiliano; Yuwono, Stephen H; Shen, Jun; Piecuch, Piotr

Deustua, J Emiliano; Yuwono, Stephen H; Shen, Jun; Piecuch, Piotr.

Afiliação

Deustua JE; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
Yuwono SH; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
Shen J; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.
Piecuch P; Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, USA.

J Chem Phys ; 150(11): 111101, 2019 Mar 21.

Article em En | MEDLINE | ID: mdl-30902012

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2019 Tipo de documento: Article País de afiliação: Estados Unidos

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