期刊
JOURNAL OF CHEMICAL PHYSICS
卷 121, 期 4, 页码 1670-1675出版社
AMER INST PHYSICS
DOI: 10.1063/1.1765096
关键词
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We report the initial Fock space multireference coupled cluster method with the full inclusion of single, double, and triple excitations (FS-CCSDT) for the (l,l) sector. We present pilot applications for calculating excitation energies for the N-2 molecule and the Ne atom. The performance of the current model, along with the FS-CCSD one, has been studied in comparison with the equation-of-motion coupled-cluster and the similarity transformed methods. (C) 2004 American Institute of Physics.
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