Density and pair-density scaling for deriving the Euler equation in density-functional and pair-density-functional theory

被引:3
|
作者
Nagy, A. [1 ]
机构
[1] Univ Debrecen, Dept Theoret Phys, H-4010 Debrecen, Hungary
关键词
EXCHANGE-CORRELATION ENERGY; GROUND-STATE ENERGIES; NATURAL SPIN-ORBITALS; KINETIC-ENERGY; N-REPRESENTABILITY; ELECTRON-DENSITY; SQUARE-ROOT; MATRICES; MOLECULES; SYSTEMS;
D O I
10.1103/PhysRevA.84.032506
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
A link between density and pair density functional theories is presented. Density and pair density scaling are used to derive the Euler equation in both theories. Density scaling provides a constructive way of obtaining approximations for the Pauli potential. The Pauli potential (energy) of the density functional theory is expressed as the difference of the scaled and original exchange-correlation potentials (energies).
引用
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页数:5
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