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Calculation of excited states by the Orthogonality-Constrained SCF method

โœ Scribed by B. F. Samsonov; E. I. Cheglokov

Book ID
112363967
Publisher
Springer
Year
1981
Tongue
English
Weight
418 KB
Volume
16
Category
Article
ISSN
0040-5760

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On the SCF calculation of excited states
On the SCF calculation of excited states: Singlet states in the two-electron problem
โœ Mary McCourt; James W. McIver Jr. ๐Ÿ“‚ Article ๐Ÿ“… 1987 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 484 KB ๐Ÿ‘ 1 views

The problem of determining SCF wave functions for excited electronic states is examined for singlet states of two-electron systems using a Lowdin natural orbital transformation of the full CI wave function. This analysis facilitates the comparison of various SCF methods with one another. The distrib