Frozen localized molecular orbitals in electron correlation calculations – Exploiting the Hartree–Fock density matrix
| Autor: | Surján, Péter R., Kőhalmi, Dóra, Rolik, Zoltán, Szabados, Ágnes |
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| Zdroj: | In Chemical Physics Letters 2008 450(4):400-403 |
| Databáze: | ScienceDirect |
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