DOI: 10.1063/1.1733957. Correlation Energy for Atomic Systems

10.1063/1.1733957

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The correlation energies are estimated for the isoelectronic series of atoms with 2 to 10 electrons in the ground state and in the excited states of the lowest electronic configuration. The obtained values of the correlation energy point out clearly the importance of precorrelation energy, i.e., the energy difference between Hartree and Hartree—Fock energies, the quasi-additivity of 1s, 2s, 2-, ··· intra- and intershell correlation, the relative importance of spin-multiplicity correlation and total angular-momentum correlation, and the Z effects on correlation. The estimate of the correlation energy makes use of energy data for the relativistic energy: the accuracy of the relativistic energy computations is discussed. The 2 to 10 electron correlation energies were used as a basis to estimate the 11 to 18 electron correlation energies and to draw general conclusions on the value of the correlation energy for any atomic system.

Bibliography

Clementi, E. (1963). Correlation Energy for Atomic Systems. The Journal of Chemical Physics, 38(9), 2248â2256.

Authors 1

Enrico Clementi (first)

References 33 Referenced 330

{'key': '2024020821333585300_r1', 'first-page': '207', 'volume': '2', 'year': '1959', 'journal-title': 'Advan. Chem. Phys.'} / Advan. Chem. Phys. (1959)
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{'key': '2024020821333585300_r3'}
{'key': '2024020821333585300_r4'}
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{'key': '2024020821333585300_r7a'}
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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, 4:33 p.m.)
Indexed	2 months, 2 weeks ago (June 9, 2025, 10:04 a.m.)
Issued	62 years, 3 months ago (May 1, 1963)
Published	62 years, 3 months ago (May 1, 1963)
Published Print	62 years, 3 months ago (May 1, 1963)

Funders 0

None

BibTeX

@article{Clementi_1963, title={Correlation Energy for Atomic Systems}, volume={38}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1733957}, DOI={10.1063/1.1733957}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Clementi, Enrico}, year={1963}, month=may, pages={2248–2256} }

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