The application of perturbation theory to the calculation of force constants
β Scribed by J.N. Murrell
- Publisher
- Elsevier Science
- Year
- 1960
- Tongue
- English
- Weight
- 725 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0022-2852
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π SIMILAR VOLUMES
Several recently proposed perturbation theories of intermolecular forces including exchange are appiied to an e.xactly soluble spin model. ## zntuodmtion In the recent literature' [l-6] there have been many methods proposed for obtaining a useful perturbation theory of intermolecular forces incl
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.
A new method for the quantum mechanical ~lci~ktion of vibrational force constants is pressted. This method is applied to the calculation of the viirational force constant of Hz, using a mmpktely optimized wavefunction constructed from a sing% gaussian orbitaL The mhe of the face constant obtained us