๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

The use of Politzer's relationship in approximate MO LCAO calculations. I

โœ Scribed by D. A. Bochvar; Yu. A. Borisov; A. L. Chistyakov

Publisher
SP MAIK Nauka/Interperiodica
Year
1982
Tongue
English
Weight
536 KB
Volume
23
Category
Article
ISSN
0022-4766

No coin nor oath required. For personal study only.

๐Ÿ“œ SIMILAR VOLUMES

Direct minimization of the energy functi
Direct minimization of the energy functional in LCAOโ€“MO calculations
โœ R. Kari; B. T. Sutcliffe ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 568 KB

## Abstract In this paper we obtain formulae useful in methods for the direct minimization of the energy functional in the LCAOโ€MOโ€MCโ€SCF approach. The formulae are appropriate for dealing with variations in both the linear and nonlinear parameters. We include formulae for the usual closedโ€ and ope