๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Self-Consistent Field Theory for Open Shells of Electronic Systems

โœ Scribed by Roothaan, C. C. J.

Book ID
120586722
Publisher
The American Physical Society
Year
1960
Tongue
English
Weight
688 KB
Volume
32
Category
Article
ISSN
0034-6861

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๐Ÿ“œ SIMILAR VOLUMES

Open shell self-consistent-field theory
Open shell self-consistent-field theory
โœ Adams, William H. ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› American Institute of Physics ๐ŸŒ English โš– 668 KB
Spin-restricted open-shell self-consiste
Spin-restricted open-shell self-consistent-field theory
โœ Ernest R. Davidson ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 210 KB

A method is given for eliminating the off-diagonal lqrangian multipliers which appear in open-shell SCF theory. This lcads to a set of coupled eigenvalue equations which is easily solved for a new guess to the SCF orbit&. This proccdurc has proven more conveient than many others now in use.