Mathieu Lewin, Elliott H. Lieb, Robert Seiringer
2019.3.10Pure and Applied Analysis
tlooto Summary
Density Functional Theory mathematically justifies Local Density Approximation with a quantitative estimate of energy difference involving gradient terms.
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.
Citation format
LEWIN, Mathieu; LIEB, Elliott H.; SEIRINGER, Robert. The local density approximation in density functional theory [preprint]. arXiv, 2019. arXiv:1903.04046.