Browsing NTNU Open by Author "Gulania, Sahil"
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Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks
Gulania, Sahil; Kjønstad, Eirik Fadum; Stanton, John F.; Koch, Henrik; Krylov, Anna I. (Journal article, 2021)We report a production-level implementation of the equation-of-motion (EOM) coupled-cluster (CC) method with double electron-attaching (DEA) EOM operators of 2p and 3p1h types, EOM-DEA-CCSD. This ansatz, suitable for ...