𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Analytical energy gradients for internally contracted second-order multireference perturbation theory

✍ Scribed by Celani, Paolo; Werner, Hans-Joachim


Book ID
115451368
Publisher
American Institute of Physics
Year
2003
Tongue
English
Weight
396 KB
Volume
119
Category
Article
ISSN
0021-9606

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Many-body multireference Møller—Plesset
✍ 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