Economical triple excitation equation-of
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John D. Watts; Rodney J. Bartlett
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Article
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1995
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Elsevier Science
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English
⚖ 451 KB
Two triple excitation equation-of-motion coupled-cluster (EOM-CC) methods for excitation energies are derived, implemented, and tested. They are excited state analogues of the CC singles, doubles, and linearized triples (CCSDT-1) iterative method and the CCSD method with a noniterative inclusion of