dataset
posted on 2025-09-09, 12:09 authored by Run Li, Stephen Yuwono, Marcus Liebenthal, Tianyuan Zhang, Xiaosong Li, A DePrinceDouble ionization potentials from all-electron versus frozen core DCB-X2C-DIP-EOMCCSD calculations, as well as double ionization potentials and excitation energies of doubly ionized species computed using 1eX2C- and DCB-X2C-DIP-EOMCCSD within the frozen core approximation.
