Matches in SemOpenAlex for { <https://semopenalex.org/work/W2891883158> ?p ?o ?g. }
- W2891883158 abstract "An interacting lattice model describing the subspace spanned by a set of strongly-correlated bands is rigorously coupled to density functional theory to enable ab initio calculations of geometric and topological material properties. The strongly-correlated subspace is identified from the occupation number band structure as opposed to a mean-field energy band structure. The self-consistent solution of the many-body model Hamiltonian and a generalized Kohn-Sham equation exactly incorporates momentum-dependent and crystal-symmetric correlations into electronic structure calculations in a way that does not rely on a separation of energy scales. Calculations for a multiorbital Hubbard model demonstrate that the theory accurately reproduces the many-body polarization." @default.
- W2891883158 created "2018-09-27" @default.
- W2891883158 creator A5007292432 @default.
- W2891883158 creator A5044903168 @default.
- W2891883158 date "2019-03-12" @default.
- W2891883158 modified "2023-10-16" @default.
- W2891883158 title "Model Hamiltonian for strongly correlated systems: Systematic, self-consistent, and unique construction" @default.
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