Publication Date:
2018-07-27
Description:
Author(s): Carsten A. Ullrich To describe noncollinear magnetism in systems such as spiral ferromagnets or spin-frustrated molecules, density-functional methods need to give a proper account of the interplay between broken spin symmetries and exchange-correlation many-body effects. Here, the author develops a class of orbital-dependent exchange-correlation functionals for systems with noncollinear spin, treating correlation via a self-consistent scheme inspired by the Singwi-Tosi-Land-Sjölander method. The approach is applied to a very simple yet nontrivial benchmark system, the asymmetric half-filled Hubbard dimer, and is found to perform well, particularly in the weakly to moderately correlated regime. [Phys. Rev. B 98, 035140] Published Thu Jul 26, 2018
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics
