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Multireference perturbation configuration interaction V. Third-order energy contributions in the Møller–Plesset and Epstein–Nesbet partitions

✍ Scribed by Celestino Angeli; Renzo Cimiraglia

Publisher
Springer
Year
2002
Tongue
English
Weight
111 KB
Volume
107
Category
Article
ISSN
1432-2234

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✍ Renzo Cimiraglia 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 423 KB 👁 1 views

Multireference perturbation theory is examined in connection with the two partitions in the Merller-Plesset and Epstein-Nesbet schemes. The implementation of an efficient diagrammatic technique is described and two examples of application (diazene and the Cr, molecule), involving large variational s