It is shown that the treatment of the superexchange in insulators, based on the spin projected extended Hartree–Fock (EHF) method may be considered as a direct generalization of Anderson's ligand field (or kinetic exchange) theory: the EHF methods permits to construct explicitly the effective orbitals for the magnetic electrons and to determine all the parameters occurring in Anderson's theory from only one variational problem.
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
- Condensed Matter Physics
- Physical and Theoretical Chemistry