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Multiple basis sets in calculations of triples corrections in coupled-cluster theory

✍ Scribed by Wim Klopper; Jozef Noga; Henrik Koch; Trygve Helgaker


Book ID
105887025
Publisher
Springer
Year
1997
Tongue
English
Weight
473 KB
Volume
97
Category
Article
ISSN
1432-2234

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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