Spin Effects in sp2 Nanocarbons in the Light of Unrestricted Hartree-Fock Approach and Spin-Orbit Coupling Theory

The paper presents the first reference to the post factum similarity of nonrelativistic unrestricted Hartree-Fock formalism and Dirac-Fock spin-orbit theory when applying for the consideration of spin effects characteristic for sp2 nanocarbon open-shell molecules (fullerenes, carbon nanotubes, and graphene). The origin of the similarity as well as interchangeability of the approaches when determining either UHF or SOC peculiarities and parameters are discussed. © 2017, Springer International Publishing AG.