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Charge-optimized many-body potential for the hafnium/hafnium oxide system

✍ Scribed by Shan, Tzu-Ray; Devine, Bryce D.; Kemper, Travis W.; Sinnott, Susan B.; Phillpot, Simon R.


Book ID
115543865
Publisher
The American Physical Society
Year
2010
Tongue
English
Weight
573 KB
Volume
81
Category
Article
ISSN
1098-0121

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πŸ“œ SIMILAR VOLUMES


Definition of n-body repulsive potential
✍ S. Baer πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 476 KB

A prescription is given for the calculation of n-body repulsive potentials within a He&x-London scheme generalized to many-molecule systems. The expressions obtained for the potentials are correct to first order in the electron overlap integrals. In this approximation the n-body potential can be def