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Approximate treatment of higher excitations in coupled-cluster theory

✍ Scribed by Kállay, Mihály; Gauss, Jürgen


Book ID
118175933
Publisher
American Institute of Physics
Year
2005
Tongue
English
Weight
370 KB
Volume
123
Category
Article
ISSN
0021-9606

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📜 SIMILAR VOLUMES


Three-electron excitation in open-shell
✍ Azizul Haque; Uzi Kaldor 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 335 KB

The three-electron excitation operator TJ is included approximalely in the coupled-cluster method with single and double excilalions for open shells (CCSD). The resulting CCSD +T scheme incorporales all energy diagrams up to and including third order in the perturbation. All ten valence-shell energy