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Title: Thermal stitching: Combining the advantages of different quantum fermion solvers

Abstract

For quantum fermion problems, many accurate solvers are limited by the temperature regime in which they can be usefully applied. The Mermin theorem implies the uniqueness of an effective potential from which both the exact density and free energy at a target temperature can be found, via a calculation at a different, reference temperature. We derive exact expressions for both the potential and the free energy in such a calculation and introduce three controllable approximations that reduce the cost of such calculations. In conclusion, we illustrate the effective potential and its free energy, and test the approximations, on the asymmetric two-site Hubbard model at finite temperature.

Authors:
 [1];  [2]
  1. Univ. of California, Los Angeles, CA (United States); Univ. of California, Irvine, CA (United States)
  2. Univ. of California, Irvine, CA (United States)
Publication Date:
Research Org.:
Univ. of California, Irvine, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1595124
Alternate Identifier(s):
OSTI ID: 1466852
Grant/Contract Number:  
[FG02-08ER46496; DGE-1321846]
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
[ Journal Volume: 98; Journal Issue: 7]; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Electronic structure; First-principle calculations; Density functional theory; Monte Carlo methods; Condensed Matter & Materials Physics

Citation Formats

Smith, Justin C., and Burke, Kieron. Thermal stitching: Combining the advantages of different quantum fermion solvers. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.98.075148.
Smith, Justin C., & Burke, Kieron. Thermal stitching: Combining the advantages of different quantum fermion solvers. United States. doi:10.1103/PhysRevB.98.075148.
Smith, Justin C., and Burke, Kieron. Wed . "Thermal stitching: Combining the advantages of different quantum fermion solvers". United States. doi:10.1103/PhysRevB.98.075148. https://www.osti.gov/servlets/purl/1595124.
@article{osti_1595124,
title = {Thermal stitching: Combining the advantages of different quantum fermion solvers},
author = {Smith, Justin C. and Burke, Kieron},
abstractNote = {For quantum fermion problems, many accurate solvers are limited by the temperature regime in which they can be usefully applied. The Mermin theorem implies the uniqueness of an effective potential from which both the exact density and free energy at a target temperature can be found, via a calculation at a different, reference temperature. We derive exact expressions for both the potential and the free energy in such a calculation and introduce three controllable approximations that reduce the cost of such calculations. In conclusion, we illustrate the effective potential and its free energy, and test the approximations, on the asymmetric two-site Hubbard model at finite temperature.},
doi = {10.1103/PhysRevB.98.075148},
journal = {Physical Review B},
number = [7],
volume = [98],
place = {United States},
year = {2018},
month = {8}
}

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Cited by: 1 work
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