Browsing NTNU Open by Author "Schnack-Petersen, Anna Kristina"
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New Implementation of an Equation-of-Motion Coupled-Cluster Damped-Response Framework with Illustrative Applications to Resonant Inelastic X-ray Scattering
Schnack-Petersen, Anna Kristina; Moitra, Torsha; Folkestad, Sarai Dery; Coriani, Sonia (Journal article; Peer reviewed, 2023)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 ...