DOI: 10.1063/1.1677649. Theory for the Forces between Closed-Shell Atoms and Molecules

Theory for the Forces between Closed-Shell Atoms and Molecules

10.1063/1.1677649

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

A simple model is presented for calculating the forces between closed-shell atoms and molecules in the regions both of the attractive well and of the repulsive wall at shorter distances. Account is taken of both the overlap of the separate atomic densities and of electron correlation. Applications to pairs of rare gas atoms and to alkali halide molecules demonstrate quantitative agreement with empirically determined intermolecular potentials for these systems over the whole range of separations inside and including the potential minimum.

Bibliography

Gordon, R. G., & Kim, Y. S. (1972). Theory for the Forces between Closed-Shell Atoms and Molecules. The Journal of Chemical Physics, 56(6), 3122â3133.

Authors 2

Roy G. Gordon (first)
Yung Sik Kim (additional)

References 51 Referenced 1,150

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Dates

Type	When
Created	21 years, 6 months ago (Feb. 6, 2004, 3:25 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 4:40 a.m.)
Indexed	2 days, 14 hours ago (Aug. 19, 2025, 6:59 a.m.)
Issued	53 years, 5 months ago (March 15, 1972)
Published	53 years, 5 months ago (March 15, 1972)
Published Print	53 years, 5 months ago (March 15, 1972)

Funders 0

None

BibTeX

@article{Gordon_1972, title={Theory for the Forces between Closed-Shell Atoms and Molecules}, volume={56}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1677649}, DOI={10.1063/1.1677649}, number={6}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Gordon, Roy G. and Kim, Yung Sik}, year={1972}, month=mar, pages={3122–3133} }

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    "date-parts": [
      [
        1972,
        3,
        15
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        1972,
        3,
        15
      ]
    ]
  }
}