DOI: 10.1063/1.438434. Generalized electron gas–Drude model theory of intermolecular forces

Generalized electron gas–Drude model theory of intermolecular forces

10.1063/1.438434

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

An electron gas theory of intermolecular forces which unifies the treatment of long- and short-range effects is improved and extended in several ways. (1) The shell polarization model takes full account of the forces from both cores and shells. (2) The amount of polarization is calculated with full self-consistency in the forces on the shells. (3) Exact agreement with the known long-range forces is achieved by an effective mass description of the shell dynamics. (4) Anisotropic polarizations appropriate to a linear molecule interacting with an atom are included. The theory is applied to the systems H2–He, H2–Ar and HCl–Ar. Fairly good agreement is found with the available but incomplete experimental data including the angle dependence of the potentials. However, some evidence suggest that the predicted repulsion is somewhat too large when a rare gas atom approaches a hydrogen atom along the molecular axis.

Bibliography

Waldman, M., & Gordon, R. G. (1979). Generalized electron gasâDrude model theory of intermolecular forces. The Journal of Chemical Physics, 71(3), 1340â1352.

Authors 2

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

References 31 Referenced 42

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{'key': '2024020918165371400_r20', 'first-page': '334', 'volume': '295', 'year': '1966', 'journal-title': 'Proc. R. Soc. (London) Ser. A'} / Proc. R. Soc. (London) Ser. A (1966)
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Dates

Type	When
Created	22 years, 5 months ago (Feb. 27, 2003, 4:39 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 3:20 p.m.)
Indexed	1 year, 1 month ago (July 22, 2024, 10:11 p.m.)
Issued	46 years ago (Aug. 1, 1979)
Published	46 years ago (Aug. 1, 1979)
Published Print	46 years ago (Aug. 1, 1979)

Funders 0

None

BibTeX

@article{Waldman_1979, title={Generalized electron gas–Drude model theory of intermolecular forces}, volume={71}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.438434}, DOI={10.1063/1.438434}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Waldman, Marvin and Gordon, Roy G.}, year={1979}, month=aug, pages={1340–1352} }

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