Effective Onsite Interaction for Dynamical Mean-Field Theory

Abstract

A scheme to incorporate non-local polarizations into the dynamical mean-field theory (DMFT) and a tailor-made way to determine the effective interaction for the DMFT are systematically investigated. Applying it to the two-dimensional Hubbard model, we find that non-local polarizations induce a non-trivial filling-dependent anti-screening effect for the effective interaction. The present scheme combined with density functional theory offers an ab initio way to derive effective onsite interactions for the impurity problem in DMFT. We apply it to SrVO3 and find that the anti-screening competes with the screening caused by the off-site interaction.

5 pages, 2 figures. Supplemental Material:5 pages, 1 figure

References in corpus (7)

• Spectral and Fermi surface properties from Wannier interpolation
• Screened Coulomb interaction in the maximally localized Wannier basis
• Electronic Structure Calculation by First Principles for Strongly Correlated Electron Systems
• Ab initio Derivation of Low-energy Model for Iron-Based Superconductors LaFeAsO and LaFePO
• Pseudogap and Mott Transition Studied by Cellular Dynamical Mean Field Theory
• Electronic Structure of Strongly Correlated Systems Emerging from Combining Path-Integral Renormalization Group with Density Functional Approach
• Ab initio Low-Dimensional Physics Opened Up by Dimensional Downfolding: Application to LaFeAsO

Cited by in corpus (3)

• Hubbard U and Hund's Exchange J in Transition Metal Oxides: Screening vs. Localization Trends from Constrained Random Phase Approximation
• Screening and Non-local Correlations in the Extended Hubbard Model from Self-Consistent Combined GW and Dynamical Mean Field Theory
• Dynamical Screening Effects in Correlated Electron Materials -- A Progress Report on Combined Many-Body Perturbation and Dynamical Mean Field Theory: "GW+DMFT"