On the Performance of Delta-Coupled-Cluster Methods for Calculations of Core-Ionization Energies of First-Row Elements.
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DOI: 10.1021/acs.jctc.9b00568
Abstract: A thorough study of the performance of delta-coupled-cluster (ΔCC) methods for calculations of core-ionization energies for elements of the first long row of the periodic table is reported. Inspired by the core-valence separation (CVS) scheme… read more here.
Keywords: ionization energies; core ionization; delta coupled; performance delta ... See more keywords