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.
Constrained variations for diatomic forces and force constants
โ Scribed by D. P. Chong
- Publisher
- Springer
- Year
- 1968
- Tongue
- English
- Weight
- 229 KB
- Volume
- 11
- Category
- Article
- ISSN
- 1432-2234
No coin nor oath required. For personal study only.
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