𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Second-order perturbation theory with the contact interaction

✍ 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.


πŸ“œ SIMILAR VOLUMES


Second-order BSSE-free perturbation theo
✍ J. Noga; Á. VibΓ³k πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 445 KB

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 Cr2 potential energy curve studied w
✍ K. Andersson; B.O. Roos; P.-Γ…. Malmqvist; P.-O. Widmark πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 741 KB

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