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
โฆ LIBER โฆ
Superoperator method for calculating configuration interaction, including doubly excited configurations
โ Scribed by A. V. Luzanov; Yu. F. Pedash
- Book ID
- 112457982
- Publisher
- Springer
- Year
- 1985
- Tongue
- English
- Weight
- 539 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0040-5760
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