Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach.
| Autor: | Axel Koslowski, Michael E. Beck, Walter Thiel |
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| Zdroj: | Journal of Computational Chemistry; 2003, Vol. 24 Issue 6, p714-726, 13p |
| Databáze: | Complementary Index |
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