𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Force in scf theories

✍ Scribed by Hiroshi Nakatsuji; Katsuya Kanda; Teiiro Yonezawa

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
519 KB
Volume
75
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Force in SCF theories. MC SCF and open-s
Force in SCF theories. MC SCF and open-shell RHF theories
✍ Hiroshi Nakatsuji; Toshiaki Hayakawa; Masahiko Hada πŸ“‚ Article πŸ“… 1981 πŸ› Elsevier Science 🌐 English βš– 527 KB

## theories a sufficient condition for these wavefunctions to satisfy the Hellmann-Feynman theorem is that the basis set includes the derivative A0 ax&?+ for any basis x,,.-The new force approach is applicable to wider fields including electronic processes in chemical reactions. Test calculations

Eigenspace manipulation in SCF theory
Eigenspace manipulation in SCF theory
✍ Catalina Arnau; RamΓ³n CarbΓ³; Sigeru Huzinaga πŸ“‚ Article πŸ“… 1972 πŸ› John Wiley and Sons 🌐 English βš– 194 KB

## Abstract The procedure proposed by Silverstone and others to modify virtual levels in SCF theory is extended as a technique to be used in any type of generalized secular equations. Some useful results are obtained.