DOI: 10.1063/1.461301. Hilbert space multireference coupled-cluster methods. I. The single and double excitation model

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

10.1063/1.461301

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

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.

Bibliography

Kucharski, S. A., & Bartlett, R. J. (1991). Hilbert space multireference coupled-cluster methods. I. The single and double excitation model. The Journal of Chemical Physics, 95(11), 8227â8238.

Authors 2

Stanislaw A. Kucharski (first)
Rodney J. Bartlett (additional)

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:20 a.m.)
Deposited	1 year, 6 months ago (Feb. 10, 2024, 8:55 a.m.)
Indexed	3 weeks, 1 day ago (Aug. 6, 2025, 8:22 a.m.)
Issued	33 years, 8 months ago (Dec. 1, 1991)
Published	33 years, 8 months ago (Dec. 1, 1991)
Published Print	33 years, 8 months ago (Dec. 1, 1991)

Funders 0

None

BibTeX

@article{Kucharski_1991, title={Hilbert space multireference coupled-cluster methods. I. The single and double excitation model}, volume={95}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.461301}, DOI={10.1063/1.461301}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kucharski, Stanislaw A. and Bartlett, Rodney J.}, year={1991}, month=dec, pages={8227–8238} }

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