English

Including many-body screening into self-consistent calculations: Tight-binding model studies with the Gutzwiller approximation

Strongly Correlated Electrons 2011-09-15 v1

Abstract

We introduce a scheme to include many-body screening processes explicitly into a set of self-consistent equations for electronic structure calculations using the Gutzwiller approximation. The method is illustrated by the application to a tight-binding model describing the strongly correlated {\gamma}-Ce system. With the inclusion of the 5d-electrons into the local Gutzwiller projection subspace, the correct input Coulomb repulsion U_{ff} between the 4f-electrons for {\gamma}-Ce in the calculations can be pushed far beyond the usual screened value U_{ff}^{scr} and close to the bare atomic value U_{ff}^{bare}. This indicates that the d-f many-body screening is the dominant contribution to the screening of U_{ff} in this system. The method provides a promising way towards the ab initio Gutzwiller density functional theory.

Keywords

Cite

@article{arxiv.1109.3117,
  title  = {Including many-body screening into self-consistent calculations: Tight-binding model studies with the Gutzwiller approximation},
  author = {Y. X. Yao and C. Z. Wang and K. M. Ho},
  journal= {arXiv preprint arXiv:1109.3117},
  year   = {2011}
}
R2 v1 2026-06-21T19:04:46.457Z