Modification of the overlap potential to mimic a linear site–site potential
- 15 March 1981
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 74 (6), 3316-3319
- https://doi.org/10.1063/1.441483
Abstract
A modification of the overlap potential of Berne and Pechukas is proposed. The overlap strength and range parameters are used in a new functional form resulting in a single‐site potential which closely resembles a linear site–site potential.Keywords
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