DOI: 10.1063/1.1701494. Suggestions from Solid-State Theory Regarding Molecular Calculations

Suggestions from Solid-State Theory Regarding Molecular Calculations

10.1063/1.1701494

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

It is suggested that one can simplify Hartree—Fock calculations on polyatomic molecules by using the free-electron exchange correction, and by replacing the actual potential, Coulomb plus exchange, by a spherical potential for each atom, with a constant potential outside the spheres, as discussed by Eyges.

Bibliography

Slater, J. C. (1965). Suggestions from Solid-State Theory Regarding Molecular Calculations. The Journal of Chemical Physics, 43(10), S228âS228.

Authors 1

J. C. Slater (first)

References 6 Referenced 118

10.1103/PhysRev.81.385 / Phys. Rev. (1951)
10.1103/PhysRev.51.846 / Phys. Rev. (1937)
10.1016/S0065-3276(08)60374-3 / Advan. Quantum Chem. (1964)
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10.1103/PhysRev.137.A27 / Phys. Rev. (1965)
10.1103/PhysRev.111.683 / Phys. Rev. (1958)

Dates

Type	When
Created	20 years, 7 months ago (Jan. 9, 2005, 3:01 a.m.)
Deposited	1 year, 6 months ago (Feb. 7, 2024, 5:16 p.m.)
Indexed	11 months, 4 weeks ago (Aug. 22, 2024, 4:32 a.m.)
Issued	59 years, 9 months ago (Nov. 15, 1965)
Published	59 years, 9 months ago (Nov. 15, 1965)
Published Print	59 years, 9 months ago (Nov. 15, 1965)

Funders 0

None

BibTeX

@article{Slater_1965, title={Suggestions from Solid-State Theory Regarding Molecular Calculations}, volume={43}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1701494}, DOI={10.1063/1.1701494}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Slater, J. C.}, year={1965}, month=nov, pages={S228–S228} }

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