DOI: 10.1063/1.431442. Hartree–Fock and Gordon–Kim interaction potentials for scattering of closed-shell molecules by atoms: (H2CO,He) and (H2,Li+)

Hartree–Fock and Gordon–Kim interaction potentials for scattering of closed-shell molecules by atoms: (H2CO,He) and (H2,Li+)

10.1063/1.431442

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The Gordon–Kim (GK) electron gas model for calculating the forces between closed-shell atoms and molecules is applied to the He–H2CO and Li+–H2 systems. GK interaction energies are computed following the original theory and also including the self-energy correction suggested by Rae. GK interaction energies, neglecting correlation, are found to be in qualitative accord with Hartree–Fock (HF) interaction energies for the two systems. However, quantitative discrepancies are noted which are possible sources of error if GK potential energy surfaces are used to compute accurate scattering cross sections.

Bibliography

Green, S., Garrison, B. J., & Lester, W. A. (1975). HartreeâFock and GordonâKim interaction potentials for scattering of closed-shell molecules by atoms: (H2CO,He) and (H2,Li+). The Journal of Chemical Physics, 63(3), 1154â1161.

Authors 3

Sheldon Green (first)
Barbara J. Garrison (additional)
William A. Lester (additional)

References 38 Referenced 40

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Dates

Type	When
Created	22 years, 6 months ago (Feb. 27, 2003, 3:57 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 8:56 a.m.)
Indexed	5 months, 1 week ago (March 22, 2025, 4:39 a.m.)
Issued	50 years ago (Aug. 1, 1975)
Published	50 years ago (Aug. 1, 1975)
Published Print	50 years ago (Aug. 1, 1975)

Funders 0

None

BibTeX

@article{Green_1975, title={Hartree–Fock and Gordon–Kim interaction potentials for scattering of closed-shell molecules by atoms: (H2CO,He) and (H2,Li+)}, volume={63}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.431442}, DOI={10.1063/1.431442}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Green, Sheldon and Garrison, Barbara J. and Lester, William A.}, year={1975}, month=aug, pages={1154–1161} }

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