Spin contamination analogy, Kramers pairs symmetry and spin density representations at the 2-component unrestricted Hartree-Fock level of theory

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

LukáÅ¡ Bučinský, Michal Malček, Stanislav Biskupič, Dylan Jayatilaka, Gabriel E. Büchel, Vladimir B. Arion,