𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quasidegenerate perturbation theory

✍ Scribed by Hose, Gabriel; Kaldor, Uzi


Book ID
121503558
Publisher
American Chemical Society
Year
1982
Tongue
English
Weight
966 KB
Volume
86
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


MCSCF reference quasidegenerate perturba
✍ Haruyuki Nakano πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 586 KB

A quasidegenerate perturbation theory (QDPT) with Epstein-Nesbet partitioning based on MCSCF reference functions is presented. The formulas for CSF-based matrix operations are derived. They are applied to the systems Be-H2 and CO, and compared with other methods. The potential energy curves agree we