Well-behaved versus ill-behaved density functionals for single bond dissociation: Separating success from disaster functional by functional for stretched H<sub>2</sub>.

Hait, Diptarka; Rettig, Adam; Head-Gordon, Martin

Well-behaved versus ill-behaved density functionals for single bond dissociation: Separating success from disaster functional by functional for stretched H₂.

Hait, Diptarka; Rettig, Adam; Head-Gordon, Martin.

Afiliação

Hait D; Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA.
Rettig A; Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA.
Head-Gordon M; Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, California 94720, USA.

J Chem Phys ; 150(9): 094115, 2019 Mar 07.

Article em En | MEDLINE | ID: mdl-30849907

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

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