Interatomic Repulsive Potentials at Very Small and Intermediate Separations
- 1 January 1961
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 121 (1) , 159-171
- https://doi.org/10.1103/PhysRev.121.159
Abstract
Using a minimal and a maximal principle, respectively, two approximate expressions for the interaction potential between atoms are given such that their mean, , differs from the exact value, , in the Thomas-Fermi-Dirac (TFD) approximation, by not more than 4% for the case of two-center system; and by not more than 14%, in the Thomas-Fermi (TF) approximation, for the case of a three-center system. The respective limits of applicability of these potentials are discussed, and some of their applications are pointed out.
Keywords
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