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Fock-Space Coupled Cluster Theory: Systematic Study of Partial Fourth Order Triples Schemes for Ionization Potential

Suhita Basumallick1, Sourav Pal1,2, Mihai V Putz3,4

  • 1Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.

International Journal of Molecular Sciences
|September 2, 2020
PubMed

Keywords:
Fock-space coupled-cluster theorybondonic formalismionization potential (IP)multi-reference coupled-clusterperturbative triples

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