Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States.

Bircher, Martin P; Villard, Justin; Rothlisberger, Ursula

Bircher, Martin P; Villard, Justin; Rothlisberger, Ursula.

Afiliação

Bircher MP; Computational and Soft Matter Physics, Universität Wien, Sensengasse 8/9, A-1090 Wien, Austria.
Villard J; Laboratory of Computational Chemistry and Biochemistry, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Av. F.A. Forel 2, CH-1015 Lausanne, Switzerland.
Rothlisberger U; Laboratory of Computational Chemistry and Biochemistry, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Av. F.A. Forel 2, CH-1015 Lausanne, Switzerland.

J Chem Theory Comput ; 16(10): 6550-6559, 2020 Oct 13.

Article em En | MEDLINE | ID: mdl-32915565

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Theory Comput Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Áustria

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