The local density approximation in density functional theory
Lewin M, Lieb EH, Seiringer R. 2020. The local density approximation in density functional theory. Pure and Applied Analysis. 2(1), 35–73.
Download (ext.)
Journal Article
| Published
| English
Scopus indexed
Author
Lewin, Mathieu;
Lieb, Elliott H.;
Seiringer, RobertISTA 
Corresponding author has ISTA affiliation
Department
Abstract
We give the first mathematically rigorous justification of the local density approximation in density functional theory. We provide a quantitative estimate on the difference between the grand-canonical Levy–Lieb energy of a given density (the lowest possible energy of all quantum states having this density) and the integral over the uniform electron gas energy of this density. The error involves gradient terms and justifies the use of the local density approximation in the situation where the density is very flat on sufficiently large regions in space.
Publishing Year
Date Published
2020-01-01
Journal Title
Pure and Applied Analysis
Publisher
Mathematical Sciences Publishers
Volume
2
Issue
1
Page
35-73
ISSN
eISSN
IST-REx-ID
Cite this
Lewin M, Lieb EH, Seiringer R. The local density approximation in density functional theory. Pure and Applied Analysis. 2020;2(1):35-73. doi:10.2140/paa.2020.2.35
Lewin, M., Lieb, E. H., & Seiringer, R. (2020). The local density approximation in density functional theory. Pure and Applied Analysis. Mathematical Sciences Publishers. https://doi.org/10.2140/paa.2020.2.35
Lewin, Mathieu, Elliott H. Lieb, and Robert Seiringer. “ The Local Density Approximation in Density Functional Theory.” Pure and Applied Analysis. Mathematical Sciences Publishers, 2020. https://doi.org/10.2140/paa.2020.2.35.
M. Lewin, E. H. Lieb, and R. Seiringer, “ The local density approximation in density functional theory,” Pure and Applied Analysis, vol. 2, no. 1. Mathematical Sciences Publishers, pp. 35–73, 2020.
Lewin M, Lieb EH, Seiringer R. 2020. The local density approximation in density functional theory. Pure and Applied Analysis. 2(1), 35–73.
Lewin, Mathieu, et al. “ The Local Density Approximation in Density Functional Theory.” Pure and Applied Analysis, vol. 2, no. 1, Mathematical Sciences Publishers, 2020, pp. 35–73, doi:10.2140/paa.2020.2.35.
All files available under the following license(s):
Copyright Statement:
This Item is protected by copyright and/or related rights. [...]
Link(s) to Main File(s)
Access Level
Open Access
Export
Marked PublicationsOpen Data ISTA Research Explorer
Sources
arXiv 1903.04046
Google Scholar