𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Optimization of the basis functions in SCF MO calculations optimized one-center SCF MO basis set for HCL

✍ Scribed by Roberto Moccia


Publisher
Springer
Year
1967
Tongue
English
Weight
555 KB
Volume
8
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


On the optimization of gaussian basis se
✍ P.J.C. Aerts; W.C. Nieuwpoort πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 612 KB

Gaussian basis sets for atomic one-electron systems have been optimtzed by straight mmtmr~atron of the electronic ground-state eigenvalue of the finite basis set representation of the Dirac operator, using the "kinetic energy balance" procedure in conjunction with appropriate additional variational