Schnack-Petersen, Anna Kristina; Moitra, Torsha; Folkestad, Sarai Dery; Coriani, Sonia (Journal article; Tidsskriftartikkel; Peer reviewed, 2023-02-10)
We present an implementation of a damped response framework for calculating resonant inelastic X-ray scattering (RIXS) at the equation-of-motion coupled-cluster singles and doubles (CCSD) and second-order approximate coupled-cluster singles and doubles (CC2) levels of theory in the open-source program eT. This framework lays the foundation for future extension to higher excitation methods (notably, ...