Published April 2018 | Version v1
Journal article

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

  • 1. Department of Physics, Graduate School of Science, The University of Tokyo, Tokyo 113-0033 (Japan)
  • 2. Nishina Center, RIKEN, Wako 351-0198 (Japan)
  • 3. ELI-NP, "Horia Hulubei" National Institute for Physics and Nuclear Engineering, RO-077125 Bucharest-Magurele (Romania)
  • 4. iTHEMS Program and iTHES Research Group, RIKEN, Wako 351-0198 (Japan)

Description

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 φ4 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.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.physletb.2018.02.034

Additional details

Identifiers

DOI
10.1016/j.physletb.2018.02.034;
arXiv
arXiv:1710.00650v2;
PII
S0370269318301369;

Publishing Information

Journal Title
Physics Letters. Section B
Journal Volume
779
Journal Page Range
p. 436-440
ISSN
0370-2693
CODEN
PYLBAJ

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
51013215
Subject category
S72: PHYSICS OF ELEMENTARY PARTICLES AND FIELDS;
Descriptors DEI
BENCHMARKS; CONVERGENCE; CORRELATIONS; DENSITY FUNCTIONAL METHOD; ENERGY DENSITY; MEAN-FIELD THEORY; RENORMALIZATION; STRONG-COUPLING MODEL
Descriptors DEC
CALCULATION METHODS; MATHEMATICAL MODELS; PARTICLE MODELS; VARIATIONAL METHODS

Optional Information

Copyright
Copyright (c) 2017 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.