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

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

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Computational and Theoretical Chemistry - Volume 1065, 1 August 2015, Pages 27-41

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