Browsing Institutt for kjemi by Author "Dery Folkestad, Sarai"
Now showing items 1-1 of 1
-
An Extended CCSD Model Including Triple Excitations for Core-Ionization Energies
Bredvold, Kaja Louise Havig (Master thesis, 2018)A model for calculation of core-ionization energies is developed within the equations-of-motion coupled cluster framework with application of the CVS approximation. The model deviates from EOM-CCSD by inclusion of triple ...