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Updated: Jun 23, 2026

Experimental Methods for Spin- and Angle-Resolved Photoemission Spectroscopy Combined with Polarization-Variable Laser
Published on: June 28, 2018
Paired orbitals for different spins equations
Igor Zilberberg1, Sergey Ruzankin
1Boreskov Institute of Catalysis and Novosibirsk State University, Novosibirsk 630090, Russian Federation. igor@catalysis.ru
Abstract:
Eigenvalue-type equations for Löwdin-Amos-Hall spin-paired (corresponding) orbitals are developed to provide an alternative to the standard spin-polarized Hartree-Fock or Kohn-Sham equations in dealing with broken-symmetry (BS) states. To derive paired orbitals for different spins (PODS) equations there has been applied Adams-Gilbert "localizing" operator approach. The PODS equations contain different operators for different spins the eigenvectors of which are paired orbitals associated with the same eigenvalue for each pair. Preliminary applications to simple systems show viability of this approach. Although the spectrum of possible applications of the PODS equations seems to be quite wide, they would be especially useful for obtaining and analyzing the S(z) = 0 BS solutions for the systems with antiferromagnetic structure.
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