Second-order perturbation theory with the contact interaction
β Scribed by J.D. Power; R.M. Pitzer
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 657 KB
- Volume
- 8
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
BSSE-free second-order perturbation theory is developed and implemented within the supermolecular approach of intermolecular energy calculations. The theory is based upon the chemical Hamiltonian approach. Model calculations are reported for He2 and ( HF)2. The method should be a better alternative
The potential energy curve of the Crz ground state has been obtained by multiconfigurational second-order perturbation theory. In this study 6-8 singularities appear in the potential curve for bond distances ranging from 1.5 to 2.2 A. However, these singularities are weak enough to allow the determi