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Self-consistent calculation of the forces between two metallic half spaces

โœ Scribed by J. Vannimenus; H.F. Budd


Publisher
Elsevier Science
Year
1975
Tongue
English
Weight
388 KB
Volume
17
Category
Article
ISSN
0038-1098

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๐Ÿ“œ SIMILAR VOLUMES


On the accuracy of higher-order force co
โœ Jeffrey F. Gaw; Nicholas C. Handy ๐Ÿ“‚ Article ๐Ÿ“… 1986 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 502 KB

Cubic and quartic internal coordinate force constants are often obtained by a least-squares fit of a set of ab initio energies to an expansion of the potential energy. The reliability of such a procedure can now be determined, since analytic Cartesian cubic force constants are available which, when