局部密度近似
轨道自由密度泛函理论
空格(标点符号)
密度泛函理论
能量密度
能量(信号处理)
量子
密度梯度
数学
电子密度
统计物理学
密度估算
量子力学
物理
理论物理学
统计
计算机科学
估计员
操作系统
作者
Mathieu Lewin,Élliott H. Lieb,Robert Seiringer
出处
期刊:Pure and applied analysis
[Mathematical Sciences Publishers]
日期:2019-11-10
卷期号:2 (1): 35-73
被引量:41
标识
DOI:10.2140/paa.2020.2.35
摘要
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.
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