DOI: 10.1063/1.1677837. Gaussian Model Potentials for Molecular Interactions

Gaussian Model Potentials for Molecular Interactions

10.1063/1.1677837

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Simple analytical forms for the orientation dependence of the potential between two molecules are derived from a Gaussian overlap model. Orientation-dependent range and energy parameters are determined, which can be used with any two-parameter atomic potential to give simple and reasonable polyatomic potentials.

Bibliography

Berne, B. J., & Pechukas, P. (1972). Gaussian Model Potentials for Molecular Interactions. The Journal of Chemical Physics, 56(8), 4213â4216.

Authors 2

Bruce J. Berne (first)
Philip Pechukas (additional)

References 6 Referenced 477

{'key': '2024020909035779100_r1'}
10.1103/PhysRev.159.98 / Phys. Rev. (1967)
{'key': '2024020909035779100_r3'}
{'key': '2024020909035779100_r4', 'first-page': '275', 'volume': 'A192', 'year': '1948', 'journal-title': 'Proc. Roy. Soc. (London)'} / Proc. Roy. Soc. (London) (1948)
10.1103/RevModPhys.25.831 / Rev. Mod. Phys. (1953)
10.1063/1.1712328 / J. Chem. Phys. (1967)

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, 5:03 a.m.)
Indexed	3 weeks, 5 days ago (Aug. 6, 2025, 9:13 a.m.)
Issued	53 years, 4 months ago (April 15, 1972)
Published	53 years, 4 months ago (April 15, 1972)
Published Print	53 years, 4 months ago (April 15, 1972)

Funders 0

None

BibTeX

@article{Berne_1972, title={Gaussian Model Potentials for Molecular Interactions}, volume={56}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.1677837}, DOI={10.1063/1.1677837}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Berne, Bruce J. and Pechukas, Philip}, year={1972}, month=apr, pages={4213–4216} }

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