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The direct configuration interaction method for general multireference expansions: Symmetric group approach

✍ Scribed by Włodzistaw Duch


Publisher
Springer
Year
1980
Tongue
English
Weight
833 KB
Volume
57
Category
Article
ISSN
1432-2234

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Implementation of a general multireferen
✍ Axel Koslowski; Michael E. Beck; Walter Thiel 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 156 KB

## 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