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On the configuration interaction method for singlet states

✍ Scribed by Peter D. Dacre


Book ID
104801729
Publisher
Springer
Year
1976
Tongue
English
Weight
471 KB
Volume
43
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