DOI: 10.1063/1.468266. Coupled cluster theory that takes care of the correlation cusp by inclusion of linear terms in the interelectronic coordinates

Coupled cluster theory that takes care of the correlation cusp by inclusion of linear terms in the interelectronic coordinates

10.1063/1.468266

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

CC-R12—a combination of coupled cluster theory and the R12 method, is presented in which the correlation cusp is treated via inclusion of terms explicitly dependent on the interelectronic distance rij into the exponential expansion of the wave function. A diagrammatic derivation of the CC-R12 equations within the so-called ‘‘standard approximation B’’ is given at the level of singles, doubles and triples (CCSDT-R12). MBPT(4)-R12 is derived as a byproduct of CCSDT-R12. Fifth order noniterative corrections are also discussed.

Bibliography

Noga, J., & Kutzelnigg, W. (1994). Coupled cluster theory that takes care of the correlation cusp by inclusion of linear terms in the interelectronic coordinates. The Journal of Chemical Physics, 101(9), 7738â7762.

Authors 2

Jozef Noga (first)
Werner Kutzelnigg (additional)

References 58 Referenced 266

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Dates

Type	When
Created	23 years ago (July 26, 2002, 8:10 a.m.)
Deposited	1 year, 6 months ago (Feb. 6, 2024, 9:26 p.m.)
Indexed	2 weeks, 4 days ago (Aug. 6, 2025, 8:32 a.m.)
Issued	30 years, 9 months ago (Nov. 1, 1994)
Published	30 years, 9 months ago (Nov. 1, 1994)
Published Print	30 years, 9 months ago (Nov. 1, 1994)

Funders 0

None

BibTeX

@article{Noga_1994, title={Coupled cluster theory that takes care of the correlation cusp by inclusion of linear terms in the interelectronic coordinates}, volume={101}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.468266}, DOI={10.1063/1.468266}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Noga, Jozef and Kutzelnigg, Werner}, year={1994}, month=nov, pages={7738–7762} }

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