Effective on-site interaction for dynamical mean-field theory
Physical Review B 86(8)
Article 2012 English
Authors
YN
Yusuke Nomura
MK
Merzuk Kaltak
KN
Kazuma Nakamura
Abstract
1 min read
A scheme to incorporate nonlocal polarizations into the dynamical mean-field theory (DMFT) and a tailor-made way to determine the effective interaction for DMFT are systematically investigated. Applying it to the two-dimensional Hubbard model, we find that nonlocal polarizations induce a nontrivial filling-dependent antiscreening effect for the effective interaction. The present scheme combined with density functional theory offers an ab initio way to derive effective on-site interactions for the impurity problem in DMFT. We apply it to SrVO${}_{3}$ and find that the antiscreening competes with the screening caused by the off-site interaction.
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