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Application of virial scaling to calculation of diatomic forces and force constants

โœ Scribed by J. Thorhallsson; D.P. Chong

Publisher
Elsevier Science
Year
1969
Tongue
English
Weight
232 KB
Volume
4
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The scaling procedure is applied to configuration-interaction wavefunctions of LiH at p = qR = 2.75, 3.00, and 3.25. The force curve calculated from the scaled wavefunctions leads to improved values for the equilibrium internuclear separation and force constants.

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