DOI: 10.1063/1.1840396. Hartree—Fock Theory of Atomic Properties

Hartree—Fock Theory of Atomic Properties

10.1063/1.1840396

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A procedure is presented for the calculation of atomic properties to any desired degree of accuracy using straightforward perturbation theory (PT). The ``uncoupled'' Hartree—Fock perturbation theory (UCPT) result is shown to agree with the first term of the PT expansion, while the ``coupled'' Hartree—Fock perturbation theory (CPT) result is shown to differ from the first two terms of the PT expansion only by higher-order terms. When the CPT result is improved upon using perturbation theory, all the ``coupling'' or ``self-consistency'' terms vanish identically and the result of the PT procedure is obtained. There is thus no advantage gained in performing the more difficult computations of CPT. The ``variants'' in UCPT discussed by Langhoff et al. are shown to be leading terms in the expansion of the UCPT result itself.

Bibliography

Musher, J. I. (1967). HartreeâFock Theory of Atomic Properties. The Journal of Chemical Physics, 46(1), 369â372.

Authors 1

Jeremy I. Musher (first)

References 23 Referenced 51

{'key': '2024020901552637800_r1'}
10.1080/00018736200101302 / Advan. Phys. (1962)
{'key': '2024020901552637800_r3', 'first-page': '534', 'volume': '43', 'year': '1965', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. (1965)
10.1063/1.1726717 / J. Chem. Phys. (1966)
10.1103/PhysRev.139.A1415 / Phys. Rev. (1965)
10.1103/PhysRev.135.A612 / Phys. Rev. (1964)
{'key': '2024020901552637800_r5'}
{'key': '2024020901552637800_r6', 'first-page': '499', 'volume': 'A178', 'year': '1941', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1941)
{'key': '2024020901552637800_r7'}
10.1103/PhysRev.107.1004 / Phys. Rev. (1957)
{'key': '2024020901552637800_r9', 'first-page': '282', 'volume': 'A251', 'year': '1959', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1959)
{'key': '2024020901552637800_r10', 'first-page': '1600', 'volume': '14', 'year': '1959', 'journal-title': 'J. Phys. Soc. (Japan)'} / J. Phys. Soc. (Japan) (1959)
10.1063/1.1696518 / J. Chem. Phys. (1965)
{'key': '2024020901552637800_r12', 'first-page': '315', 'volume': '6', 'year': '1964', 'journal-title': 'Advan. Chem. Phys.'} / Advan. Chem. Phys. (1964)
10.1063/1.1726702 / J. Chem. Phys. (1966)
{'key': '2024020901552637800_r14'}
{'key': '2024020901552637800_r16'}
{'key': '2024020901552637800_r17'}
{'key': '2024020901552637800_r18'}
10.1016/0003-4916(65)90141-7 / Ann. Phys. (N.Y.) (1965)
{'key': '2024020901552637800_r20'}
{'key': '2024020901552637800_r21a', 'first-page': '492', 'volume': 'A275', 'year': '1963', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1963)
{'key': '2024020901552637800_r22'}

Dates

Type	When
Created	20 years, 7 months ago (Jan. 5, 2005, 11:35 p.m.)
Deposited	1 year, 6 months ago (Feb. 8, 2024, 8:55 p.m.)
Indexed	1 year, 6 months ago (Feb. 10, 2024, 12:30 a.m.)
Issued	58 years, 7 months ago (Jan. 1, 1967)
Published	58 years, 7 months ago (Jan. 1, 1967)
Published Print	58 years, 7 months ago (Jan. 1, 1967)

Funders 0

None

BibTeX

@article{Musher_1967, title={Hartree—Fock Theory of Atomic Properties}, volume={46}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1840396}, DOI={10.1063/1.1840396}, number={1}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Musher, Jeremy I.}, year={1967}, month=jan, pages={369–372} }

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