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Performance of the general-model-space state-universal coupled-cluster method

✍ Scribed by Li, Xiangzhu; Paldus, Josef

Book ID
120996110
Publisher
American Institute of Physics
Year
2004
Tongue
English
Weight
461 KB
Volume
120
Category
Article
ISSN
0021-9606

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✍ K. Jankowski; L. Meissner; K. Rubiniec πŸ“‚ Article πŸ“… 1998 πŸ› John Wiley and Sons 🌐 English βš– 190 KB πŸ‘ 2 views

Model studies of the impact of the choice of molecular orbital sets on the accuracy of the results of the state-universal coupled-cluster method involving one-and Ε½ . two-body excitations SU-CCSD were performed for the H4 model, which offers a straightforward way of representing any symmetry-adapted