Is the Trotterized UCCSD Ansatz Chemically Well-Defined?

Grimsley, Harper R; Claudino, Daniel; Economou, Sophia E; Barnes, Edwin; Mayhall, Nicholas J.

Afiliación

Grimsley HR; Department of Chemistry , Virginia Tech , Blacksburg , Virginia 24061 , United States.
Claudino D; Department of Chemistry , Virginia Tech , Blacksburg , Virginia 24061 , United States.
Economou SE; Department of Physics , Virginia Tech , Blacksburg , Virginia 24061 , United States.
Barnes E; Department of Physics , Virginia Tech , Blacksburg , Virginia 24061 , United States.
Mayhall NJ; Department of Chemistry , Virginia Tech , Blacksburg , Virginia 24061 , United States.

J Chem Theory Comput ; 16(1): 1-6, 2020 Jan 14.

Article en En | MEDLINE | ID: mdl-31841333

Texto completo: 1 Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2020 Tipo del documento: Article

Texto completo: 1 Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2020 Tipo del documento: Article