## Abstract The graphical unitary group approach has been applied in an efficient implementation of a general multireference configuration interaction (MRCI) method for use with small active molecular orbital spaces in a semiempirical framework. Gradients can be computed analytically for molecular
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A cluster expansion theory with multireference functions using the unitary ansatz
β Scribed by Kiyoshi Tanaka; Hidemi Terashima
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 490 KB
- Volume
- 106
- Category
- Article
- ISSN
- 0009-2614
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