Equation-of-Motion MLCCSD and CCSD-in-HF Oscillator Strengths and Their Application to Core Excitations
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DOI: 10.1021/acs.jctc.0c00707
Abstract: We present an implementation of equation-of-motion oscillator strengths for the multilevel CCSD (MLCCSD) model where CCS is used as the lower level method (CCS/CCSD). In this model, the double excitations of the cluster operator are… read more here.
Keywords: oscillator strengths; core; mlccsd ccsd; core excitations ... See more keywords