离子
极限(数学)
物理
费米气体
相关性
局部密度近似
能量(信号处理)
原子物理学
电子
密度泛函理论
能量泛函
电子相关
量子力学
数学分析
数学
几何学
出处
期刊:Physical review
日期:1986-06-15
卷期号:33 (12): 8822-8824
被引量:17692
标识
DOI:10.1103/physrevb.33.8822
摘要
Langreth and Mehl (LM) and co-workers have developed a useful spin-density functional for the correlation energy of an electronic system. Here the LM functional is improved in two ways: (1) The natural separation between exchange and correlation is made, so that the density-gradient expansion of each is recovered in the slowly varying limit. (2) Uniform-gas and inhomogeneity effects beyond the randomphase approximation are built in. Numerical results for atoms, positive ions, and surfaces are close to the exact correlation energies, with major improvements over the original LM approximation for the ions and surfaces.
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