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Calculation of correlation energy in the LCAO method

✍ Scribed by M. G. Veselov; L. N. Labzovskii

Book ID
112363409
Publisher
Springer
Year
1970
Tongue
English
Weight
143 KB
Volume
4
Category
Article
ISSN
0040-5760

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πŸ“œ SIMILAR VOLUMES

Direct minimization of the energy functi
Direct minimization of the energy functional in LCAO–MO calculations
✍ R. Kari; B. T. Sutcliffe πŸ“‚ Article πŸ“… 1973 πŸ› John Wiley and Sons 🌐 English βš– 568 KB

## Abstract In this paper we obtain formulae useful in methods for the direct minimization of the energy functional in the LCAO‐MO‐MC‐SCF approach. The formulae are appropriate for dealing with variations in both the linear and nonlinear parameters. We include formulae for the usual closed‐ and ope