Spin-orbit splitted excited states using explicitly-correlated equation-of-motion coupled-cluster singles and doubles eigenvectors

Autor: Bokhan, Denis a, ⁎, Trubnikov, Dmitrii N. a, Perera, Ajith b, Bartlett, Rodney J. b
Zdroj: In Chemical Physics Letters 16 April 2018 698:171-175
Databáze: ScienceDirect