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Single-particle excitations in the uniform electron gas by diagrammatic Monte Carlo

Authors :
Kristjan Haule
Kun Chen
Source :
Scientific Reports, Vol 12, Iss 1, Pp 1-8 (2022)
Publication Year :
2022
Publisher :
Nature Portfolio, 2022.

Abstract

Abstract We calculate the single-particle excitation spectrum and the Landau liquid parameters for the archetypal model of solids, the three-dimensional uniform electron gas, with the variational diagrammatic Monte Carlo method, which gives numerically controlled results without systematic error. In the metallic range of density, we establish benchmark values for the wave-function renormalization factor Z, the effective mass $$m^*/m$$ m ∗ / m , and the Landau parameters $$F_0^s$$ F 0 s and $$F_0^a$$ F 0 a with unprecedented accuracy, and we resolve the long-standing puzzle of non-monotonic dependence of mass on density. We also exclude the possibility that experimentally measured large reduction of bandwidth in Na metal can originate from the charge and spin fluctuations contained in the model of the uniform electron gas.

Subjects

Subjects :
Medicine
Science

Details

Language :
English
ISSN :
20452322
Volume :
12
Issue :
1
Database :
Directory of Open Access Journals
Journal :
Scientific Reports
Publication Type :
Academic Journal
Accession number :
edsdoj.41abe70c73453f9a1bf16fab23fecc
Document Type :
article
Full Text :
https://doi.org/10.1038/s41598-022-06188-6