English

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 dd-shell and a ff-shell and all point groups with up to 1616 elements (OhO_h, OO, TdT_d, ThT_h, D6hD_{6h}, and D4hD_{4h}). 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)

R2 v1 2026-06-22T16:19:41.296Z