DOI: 10.1063/1.463977. Comparison of coupled-cluster results with a hybrid of Hartree

Comparison of coupled-cluster results with a hybrid of Hartree–Fock and density functional theory

10.1063/1.463977

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The performance of a hybrid of Hartree–Fock and density functional theory is tested on a set of ‘‘pathological’’ quantum chemistry problems. The predictions of this hybrid model are in qualitative agreement with coupled-cluster results and with experiment. Given the modest computational cost of the procedure, this is an extremely encouraging development.

Bibliography

Scuseria, G. E. (1992). Comparison of coupled-cluster results with a hybrid of HartreeâFock and density functional theory. The Journal of Chemical Physics, 97(10), 7528â7530.

Authors 1

Gustavo E. Scuseria (first)

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Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:22 a.m.)
Deposited	1 year, 7 months ago (Feb. 5, 2024, 1:26 p.m.)
Indexed	2 months, 3 weeks ago (June 10, 2025, 3:47 a.m.)
Issued	32 years, 9 months ago (Nov. 15, 1992)
Published	32 years, 9 months ago (Nov. 15, 1992)
Published Print	32 years, 9 months ago (Nov. 15, 1992)

Funders 0

None

BibTeX

@article{Scuseria_1992, title={Comparison of coupled-cluster results with a hybrid of Hartree–Fock and density functional theory}, volume={97}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.463977}, DOI={10.1063/1.463977}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Scuseria, Gustavo E.}, year={1992}, month=nov, pages={7528–7530} }

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