English

Accuracy of downfolding based on the constrained random phase approximation

Strongly Correlated Electrons 2015-07-24 v2

Abstract

We study the reliability of the constrained random phase approximation (cRPA) method for the calculation of low-energy effective Hamiltonians by considering multi-orbital lattice models with one strongly correlated "target" band and two weakly correlated "screening" bands. The full multi-orbital system and the effective model are solved within dynamical mean field theory (DMFT) in a consistent way. By comparing the quasi-particle weights for the correlated bands, we examine how accurately the effective model describes the low-energy properties of the multi-band system. We show that the violation of the Pauli principle in the cRPA method leads to overscreening effects when the inter-orbital interaction is small. This problem can be overcome by using a variant of the cRPA method which restores the Pauli principle.

Keywords

Cite

@article{arxiv.1410.1276,
  title  = {Accuracy of downfolding based on the constrained random phase approximation},
  author = {Hiroshi Shinaoka and Matthias Troyer and Philipp Werner},
  journal= {arXiv preprint arXiv:1410.1276},
  year   = {2015}
}

Comments

13 pages, 11 figures

R2 v1 2026-06-22T06:13:43.447Z