Coulomb matrix elements in multi-orbital Hubbard models
Strongly Correlated Electrons
2017-03-24 v2
Abstract
Coulomb matrix elements are needed in all studies in solid-state theory that are based on Hubbard-type multi-orbital models. Due to symmetries, the matrix elements are not independent. We determine a set of independent Coulomb parameters for a -shell and a -shell and all point groups with up to elements (, , , , , and ). Furthermore, we express all other matrix elements as a function of the independent Coulomb parameters. Apart from the solution of the general point-group problem we investigate in detail the spherical approximation and first-order corrections to the spherical approximation.
Cite
@article{arxiv.1610.04035,
title = {Coulomb matrix elements in multi-orbital Hubbard models},
author = {Jörg Bünemann and Florian Gebhard},
journal= {arXiv preprint arXiv:1610.04035},
year = {2017}
}
Comments
25 pages + 44 pages supplementary material (in the source files)