Born-Mayer-Type Interatomic Potential for Neutral Ground-State Atoms withto
- 5 February 1969
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 178 (1) , 76-79
- https://doi.org/10.1103/physrev.178.76
Abstract
Born-Mayer parameters are given which permit, with good accuracy (to within 6%), a greatly simplified computation of a previously derived interatomic potential, , based on the Thomas-Fermi-Dirac (TFD) approximation. The numerical values of and appearing in are tabulated in two sets of commonly used units for 104 homonuclear pairs of neutral ground-state atoms having to . Approximate lower and upper limits of applicability, and , are also listed, as is the magnitude of the maximum percent error () for each fit. is generally , while . The effective upper limit probably lies at . Also, with the aid of the given table and the combining rule , the interaction energies of a total of 5356 heteronuclear diatoms can readily be obtained.
Keywords
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