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Analytic second derivatives in closed-shell coupled-cluster theory with spin-orbit coupling

✍ Scribed by Wang, Fan; Gauss, Jürgen

Book ID
111889518
Publisher
American Institute of Physics
Year
2009
Tongue
English
Weight
377 KB
Volume
131
Category
Article
ISSN
0021-9606

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📜 SIMILAR VOLUMES

Perturbative corrections to account for
Perturbative corrections to account for triple excitations in closed and open shell coupled cluster theories
✍ Miles J.O. Deegan; Peter J. Knowles 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 541 KB

The application of the coupled cluster method restricted to single and double excitations (CCSD) to a non-Hat-tree-Fock determinantal reference wavefunction is examined, with particular emphasis on the case of spin-restricted open shell reference states. By considering the perturbation expansions of