Blar i Publikasjoner fra CRIStin - NTNU på forfatter "Faber, Rasmus"
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Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges
Faber, Rasmus; Kjønstad, Eirik Fadum; Koch, Henrik; Coriani, Sonia (Journal article; Peer reviewed, 2019)We present an equation of motion coupled cluster singles and doubles approach for computing transient absorption spectra from a triplet excited state. The implementation determines the left and right excitation vectors by ...