Analytical gradients of the second-order Møller-Plesset energy using Cholesky decompositions.
| Autor: | Boström, Jonas1, Veryazov, Valera1, Aquilante, Francesco2, Bondo Pedersen, Thomas3, Lindh, Roland2,4 |
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| Zdroj: | International Journal of Quantum Chemistry. Mar2014, Vol. 114 Issue 5, p321-327. 8p. |
| Databáze: | Academic Search Ultimate |
| Externí odkaz: |
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