TITLE

Hilbert space multireference coupled-cluster methods. I. The single and double excitation model

AUTHOR(S)
Kucharski, Stanislaw A.; Bartlett, Rodney J.
PUB. DATE
December 1991
SOURCE
Journal of Chemical Physics;12/1/1991, Vol. 95 Issue 11, p8227
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Employing a Hilbert space ansatz the multireference, coupled-cluster single and double (MRCCSD) excitation equations are derived and presented in a transparent diagrammatic form for a complete active multireference space. All possible excitation levels are considered to be in the complete active space through hextuples, for which the MRCCSD equations are shown to be complete. The equations apply for open- and closed-shell cases.
ACCESSION #
7609348

 

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