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• W2017583835 abstract "The coupled-cluster (CC) equations including single, double, triple, and quadruple excitation amplitudes (CCSDTQ) are derived diagramatically, and the complete set of CCSDTQ equations are presented. These equations have been programmed and an iterative reduced linear equation method is used to solve these equations. The potential curves for the dissociation of a model system with a single bond (Li2 and LiH) is calculated using CC doubles (CCD), singles and doubles (CCSD), singles, doubles, and triples (CCSDT), and CCSDTQ. These calculations demonstrate the magnitude of the CC contributions arising from single, double, triple, and quadruple excitation amplitudes to the stretching of a chemical bond." @default.
• W2017583835 created "2016-06-24" @default.
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• W2017583835 date "1991-11-01" @default.
• W2017583835 modified "2023-10-10" @default.
• W2017583835 title "Coupled‐cluster method truncated at quadruples" @default.
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• W2017583835 doi "https://doi.org/10.1063/1.461534" @default.
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