DOI: 10.1063/1.1726081. Gaussian Correlation Functions: Two-Electron Systems

Gaussian Correlation Functions: Two-Electron Systems

10.1063/1.1726081

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The correlated molecular orbital method is applied to the He isoelectronic sequence and H2 using a Gaussian basis set to explore the possible use of Gaussian basis function in wavefunctions containing explicit electron correlation for larger systems. The wavefunctions are analyzed in terms of the change in the electron-pair distribution and a comparison of the Coulomb holes is made for the atomic cases. The dependence of the correlation improvement on the accuracy of the orbital functions is discussed. General formulas for Gaussian correlation integrals also are included.

Bibliography

Lester, W. A., & Krauss, M. (1964). Gaussian Correlation Functions: Two-Electron Systems. The Journal of Chemical Physics, 41(5), 1407â1413.

Authors 2

William A. Lester (first)
Morris Krauss (additional)

References 22 Referenced 102

10.1063/1.1701182 / J. Chem. Phys. (1961)
10.1016/0022-2852(62)90021-8 / J. Mol. Spectry. (1962)
10.1063/1.1734544 / J. Chem. Phys. (1963)
{'key': '2024020822540397800_r2', 'first-page': '421', 'volume': 'A258', 'year': '1960', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1960)
{'key': '2024020822540397800_r3', 'first-page': '723', 'volume': '10', 'year': '1940', 'journal-title': 'Zh. Eksperim. i Teor. Fiz.'} / Zh. Eksperim. i Teor. Fiz. (1940)
10.1103/RevModPhys.32.194 / Rev. Mod. Phys. (1960)
10.1103/RevModPhys.32.205 / Rev. Mod. Phys. (1960)
10.1063/1.1776948 / J. Chem. Phys. (1963)
10.1103/PhysRev.46.618 / Phys. Rev. (1934)
10.1088/0370-1328/77/3/325 / Proc. Phys. Soc. (London) (1961)
10.1063/1.1733871 / J. Chem. Phys. (1963)
10.1088/0370-1328/82/5/303 / Proc. Phys. Soc. (London) (1963)
10.1103/PhysRev.128.2675 / Phys. Rev. (1962)
{'key': '2024020822540397800_r10a', 'first-page': '565', 'volume': 'A261', 'year': '1961', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1961)
10.1088/0370-1328/78/5/328 / Proc. Phys. Soc. (London) (1961)
10.1103/RevModPhys.35.491 / Rev. Mod. Phys. (1963)
{'key': '2024020822540397800_r13', 'first-page': '402', 'volume': 'A258', 'year': '1960', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1960)
{'key': '2024020822540397800_r14', 'first-page': '35', 'volume': '50', 'year': '1963', 'journal-title': 'MIT Solid-State and Molecular Theory Group, Quarterly Progress Report'} / MIT Solid-State and Molecular Theory Group, Quarterly Progress Report (1963)
{'key': '2024020822540397800_r15', 'first-page': '35', 'volume': '68B', 'year': '1964', 'journal-title': 'J. Res. Natl. Bur. Std.'} / J. Res. Natl. Bur. Std. (1964)
{'key': '2024020822540397800_r16'}
{'key': '2024020822540397800_r17'}
10.1103/PhysRev.132.2118 / Phys. Rev. (1963)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 1:59 a.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 5:54 p.m.)
Indexed	1 year, 2 months ago (May 28, 2024, 6:06 p.m.)
Issued	60 years, 11 months ago (Sept. 1, 1964)
Published	60 years, 11 months ago (Sept. 1, 1964)
Published Print	60 years, 11 months ago (Sept. 1, 1964)

Funders 0

None

BibTeX

@article{Lester_1964, title={Gaussian Correlation Functions: Two-Electron Systems}, volume={41}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1726081}, DOI={10.1063/1.1726081}, number={5}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Lester, William A. and Krauss, Morris}, year={1964}, month=sep, pages={1407–1413} }

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