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A programmable spin-free method for configuration interaction

โœ Scribed by C. R. Sarma; Sten Rettrup

Book ID
104804908
Publisher
Springer
Year
1977
Tongue
English
Weight
400 KB
Volume
46
Category
Article
ISSN
1432-2234

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The recently proposed stochastic diagonalization method is applied to the ab initio quantum chemistry configuration interaction problem. In this context it can be viewed as a multi-reference CI method with dynamic selection of important configurations. The method is compared with other methods and t