DOI: 10.1063/1.438433. Scaled electron gas approximation for intermolecular forces

Scaled electron gas approximation for intermolecular forces

10.1063/1.438433

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

An electron gas theory for intermolecular forces due to Gordon and Kim is modified by multiplicative scaling factors for the kinetic, exchange, and correlation terms in the energy functional. The scale factors are determined uniquely by the condition that the energy functional yield correct results for the corresponding terms in an atom isoelectronic to the molecular systems of interest. The calculated intermolecular forces are in better agreement with experimental data for light neutral atoms such as helium. For systems involving ions and/or heavier neutral atoms, agreement with experiment is not significantly better or worse than with the original theory.

Bibliography

Waldman, M., & Gordon, R. G. (1979). Scaled electron gas approximation for intermolecular forces. The Journal of Chemical Physics, 71(3), 1325â1339.

Authors 2

Marvin Waldman (first)
Roy G. Gordon (additional)

References 23 Referenced 191

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10.1063/1.1681610 / J. Chem. Phys. (1974)
10.1063/1.1681283 / J. Chem. Phys. (1974)
{'key': '2024020918042077700_r4'}
10.1103/PhysRevA.14.919 / Phys. Rev. A (1976)
{'key': '2024020918042077700_r6', 'first-page': '115', 'volume': '32', 'year': '1957', 'journal-title': 'Zh. Eksp. Teor. Fiz. [Sov. Phys. JETP]'} / Zh. Eksp. Teor. Fiz. [Sov. Phys. JETP] (1957)
10.1007/BF01337700 / Z. Phys. (1935)
10.1103/PhysRevB.12.3228 / Phys. Rev. B (1975)
10.1103/PhysRevA.4.1375 / Phys. Rev. A (1971)
10.1016/0009-2614(73)80469-5 / Chem. Phys. Lett. (1973)
10.1016/0009-2614(74)85415-1 / Chem. Phys. Lett. (1974)
10.1063/1.1682318 / J. Chem. Phys. (1974)
10.1016/0009-2614(75)85739-3 / Chem. Phys. Lett. (1975)
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10.1063/1.431442 / J. Chem. Phys. (1975)
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{'key': '2024020918042077700_r17', 'first-page': '468', 'volume': '39', 'year': '1975', 'journal-title': 'Chem. Phys. Lett.'} / Chem. Phys. Lett. (1975)
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{'key': '2024020918042077700_r23'}

Dates

Type	When
Created	22 years, 6 months ago (Feb. 27, 2003, 4:39 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 3:05 p.m.)
Indexed	1 year, 1 month ago (Aug. 2, 2024, 7:11 a.m.)
Issued	46 years, 1 month ago (Aug. 1, 1979)
Published	46 years, 1 month ago (Aug. 1, 1979)
Published Print	46 years, 1 month ago (Aug. 1, 1979)

Funders 0

None

BibTeX

@article{Waldman_1979, title={Scaled electron gas approximation for intermolecular forces}, volume={71}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.438433}, DOI={10.1063/1.438433}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Waldman, Marvin and Gordon, Roy G.}, year={1979}, month=aug, pages={1325–1339} }

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