Born-Huggins-Meyer potential: Difference between revisions
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Revision as of 13:44, 18 February 2010
The Born-Huggins-Meyer potential (although looking at the authors/publications perhaps it would be more precisely known as the Born-Meyer-Huggins potential) [1] [2] [3] is given by [4]
where
- is the intermolecular pair potential between two particles or sites
- is the diameter (length), i.e. the value of at which
This potential is often used to study alkali halides.
References
- ↑ Max Born and Joseph E. Mayer "Zur Gittertheorie der Ionenkristalle", Zeitschrift für Physik A Hadrons and Nuclei 75 pp. 1-18 (1932)
- ↑ Maurice L. Huggins and Joseph E. Mayer "Interatomic Distances in Crystals of the Alkali Halides", Journal of Chemical Physics 1 pp. 643- (1933)
- ↑ Joseph E. Mayer "Dispersion and Polarizability and the van der Waals Potential in the Alkali Halides", Journal of Chemical Physics 1 pp. 270- (1933)
- ↑ functional form taken from the DL_POLY manual (Table 4.12)