Analytic energy derivatives for the equation-of-motion coupled-cluster method: Algebraic expressions, implementation and application to theS 1 state of HFCO

Artigo

1995; Springer Science+Business Media; Volume: 91; Issue: 5-6 Linguagem: Inglês

10.1007/bf01133076

ISSN

0040-5744

Autores

John F. Stanton, J�rgen Gauss,

Tópico(s)

Inorganic Fluorides and Related Compounds

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