4.7 Article

Functional renormalization group and Kohn-Sham scheme in density functional theory

期刊

PHYSICS LETTERS B
卷 779, 期 -, 页码 436-440

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ELSEVIER
DOI: 10.1016/j.physletb.2018.02.034

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  1. RIKEN iTHES Program
  2. RIKEN iTHEMS Program
  3. NSF [PHY1066292, PHY1607611]

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Deriving accurate energy density functional is one of the central problems in condensed matter physics, nuclear physics, and quantum chemistry. We propose a novel method to deduce the energy density functional by combining the idea of the functional renormalization group and the Kohn-Sham scheme in density functional theory. The key idea is to solve the renormalization group flow for the effective action decomposed into the mean-field part and the correlation part. Also, we propose a simple practical method to quantify the uncertainty associated with the truncation of the correlation part. By taking the phi(4) theory in zero dimension as a benchmark, we demonstrate that our method shows extremely fast convergence to the exact result even for the highly strong coupling regime. (C) 2018 The Author(s). Published by Elsevier B.V.

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