Gaussian geminal basis set optimization with crude SCF reference state

Ludwik Adamowicz; Andrzej J. Sadlej

doi:10.1016/0009-2614(77)80320-5

Gaussian geminal basis set optimization with crude SCF reference state

Ludwik Adamowicz, Andrzej J. Sadlej

Research output: Contribution to journal › Article › peer-review

37 Scopus citations

Abstract

Gaussian geminal basis functions for second-order correlation energy calculations according to the Sinanoǧlu method are optimized with reference to rather crude SCF functions. The optimized geminal basis set is then used in a one-step calculation of the correlation energy with respect to the near-Hartree-Fock reference State. The numerical results for the beryllium atom indicate the usefulness of the proposed technique.

Original language	English (US)
Pages (from-to)	305-310
Number of pages	6
Journal	Chemical Physics Letters
Volume	48
Issue number	2
DOIs	https://doi.org/10.1016/0009-2614(77)80320-5
State	Published - Jun 1 1977

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

Access to Document

10.1016/0009-2614(77)80320-5

Cite this

@article{30450bf47e2e487395b5c2ffd5c83421,

title = "Gaussian geminal basis set optimization with crude SCF reference state",

abstract = "Gaussian geminal basis functions for second-order correlation energy calculations according to the Sinanoǧlu method are optimized with reference to rather crude SCF functions. The optimized geminal basis set is then used in a one-step calculation of the correlation energy with respect to the near-Hartree-Fock reference State. The numerical results for the beryllium atom indicate the usefulness of the proposed technique.",

author = "Ludwik Adamowicz and Sadlej, {Andrzej J.}",

note = "Funding Information: * This research was supported by the Institute of Low Tcm-pcraturer and Structure Research of the Polnh Academy of Scienc6.",

year = "1977",

month = jun,

day = "1",

doi = "10.1016/0009-2614(77)80320-5",

language = "English (US)",

volume = "48",

pages = "305--310",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier",

number = "2",

}

TY - JOUR

T1 - Gaussian geminal basis set optimization with crude SCF reference state

AU - Adamowicz, Ludwik

AU - Sadlej, Andrzej J.

N1 - Funding Information: * This research was supported by the Institute of Low Tcm-pcraturer and Structure Research of the Polnh Academy of Scienc6.

PY - 1977/6/1

Y1 - 1977/6/1

N2 - Gaussian geminal basis functions for second-order correlation energy calculations according to the Sinanoǧlu method are optimized with reference to rather crude SCF functions. The optimized geminal basis set is then used in a one-step calculation of the correlation energy with respect to the near-Hartree-Fock reference State. The numerical results for the beryllium atom indicate the usefulness of the proposed technique.

AB - Gaussian geminal basis functions for second-order correlation energy calculations according to the Sinanoǧlu method are optimized with reference to rather crude SCF functions. The optimized geminal basis set is then used in a one-step calculation of the correlation energy with respect to the near-Hartree-Fock reference State. The numerical results for the beryllium atom indicate the usefulness of the proposed technique.

UR - http://www.scopus.com/inward/record.url?scp=4244126175&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=4244126175&partnerID=8YFLogxK

U2 - 10.1016/0009-2614(77)80320-5

DO - 10.1016/0009-2614(77)80320-5

M3 - Article

AN - SCOPUS:4244126175

VL - 48

SP - 305

EP - 310

JO - Chemical Physics Letters

JF - Chemical Physics Letters

SN - 0009-2614

IS - 2

ER -

Gaussian geminal basis set optimization with crude SCF reference state

Abstract

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this