On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond.

Shee, James; Weber, John L; Reichman, David R; Friesner, Richard A; Zhang, Shiwei

Shee, James; Weber, John L; Reichman, David R; Friesner, Richard A; Zhang, Shiwei.

Afiliação

Shee J; Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA.
Weber JL; Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, USA.
Reichman DR; Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, USA.
Friesner RA; Department of Chemistry, Columbia University, 3000 Broadway, New York, New York 10027, USA.
Zhang S; Center for Computational Quantum Physics, Flatiron Institute, 162 5th Avenue, New York, New York 10010, USA.

J Chem Phys ; 158(14): 140901, 2023 Apr 14.

Article em En | MEDLINE | ID: mdl-37061483

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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: 2023 Tipo de documento: Article País de afiliação: Estados Unidos

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