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Theory for the Forces between Closed-Shell Atoms and Molecules
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.
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Citations
Cited by
Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., Laino, T., Khaliullin, R. Z., Schütt, O., Schiffmann, F., et al. (2020) · The Journal of Chemical Physics · doi:10.1063/5.0007045 · Cited by 4,468
The General Utility Lattice Program ( GULP )
Gale, J. D., & Rohl, A. L. (2003) · Molecular Simulation · doi:10.1080/0892702031000104887 · Cited by 2,265
What is "liquid"? Understanding the states of matter
Barker, J. A., & Henderson, D. (1976) · Reviews of Modern Physics · doi:10.1103/revmodphys.48.587 · Cited by 2,104
Simplified method for calculating the energy of weakly interacting fragments
Harris, J. (1985) · Physical Review B · doi:10.1103/physrevb.31.1770 · Cited by 991
Giessibl, F. J. (2001) · Applied Physics Letters · doi:10.1063/1.1335546 · Cited by 323
Metadata
- Authors
- Gordon, R. G., & Kim, Y. S.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1972-03-15
- Volume
- 56
- Issue
- 6
- Pages
- 3122-3133
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2054926021
- Cited by
- 1,262
- References
- 0
- FWCI
- 27.08
- Type
- journal article
- Language
- en
- Open access
- closed
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- Gordon, R. G., & Kim, Y. S. (1972). Theory for the Forces between Closed-Shell Atoms and Molecules. The Journal of Chemical Physics. https://doi.org/10.1063/1.1677649
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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