Strictly correlated electrons in density-functional theory

被引:155
作者
Seidl, M [1 ]
Perdew, JP
Levy, M
机构
[1] Tulane Univ, Dept Phys, New Orleans, LA 70118 USA
[2] Tulane Univ, Quantum Theory Grp, New Orleans, LA 70118 USA
[3] Tulane Univ, Dept Chem, New Orleans, LA 70118 USA
关键词
D O I
10.1103/PhysRevA.59.51
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Electrons at a fixed density approach a strictly correlated limit as their Coulomb interaction is scaled to infinity. We find the exact energy for strictly correlated electrons in spherical two-electron densities, and a useful gradient expansion for general densities. We also propose a model for the coupling-constant dependence, which interpolates between the weak- and strong-interaction limits. This model defines a density functional which predicts accurate ground-state correlation energies for real atoms and the two-dimensional uniform electron gas. [S1050-2947(99)10001-5].
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页码:51 / 54
页数:4
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