๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Mechanization of calculations for operational planning in heat treatment shops

โœ Scribed by V. B. Liberman


Book ID
112382286
Publisher
Springer US
Year
1966
Tongue
English
Weight
308 KB
Volume
8
Category
Article
ISSN
0026-0673

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Treatment of symmetry in MO calculations
โœ H. H. Jaffรฉ ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 404 KB

This article describes the numerical application of projection operators to restore the symmetry of molecular orbitals in self-consistent field (SCF) calculations when the symmetry is lost because of degeneracy or near degeneracy. The application of projection operators is particularly useful in cas