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
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Benchmark calculations using the individually selecting configuration interaction method
β Scribed by STAMPFUSS, P.; WENZEL, W.
- Book ID
- 126973092
- Publisher
- Taylor and Francis Group
- Year
- 2002
- Tongue
- English
- Weight
- 544 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0026-8976
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