Time-dependent exchange-correlation hole and potential of the electron gas

被引:3
|
作者
Karlsson, K. [1 ]
Aryasetiawan, F. [2 ,3 ]
机构
[1] Univ Skovde, Dept Engn Sci, SE-54128 Skovde, Sweden
[2] Lund Univ, Dept Phys, Div Math Phys, Professorsgatan 1, S-22363 Lund, Sweden
[3] LINXS Inst Adv Neutron & Xray Sci LINXS, IDEON Bldg Delta 5,Scheelevagen 19, S-22370 Lund, Sweden
基金
瑞典研究理事会;
关键词
DENSITY-FUNCTIONAL THEORY; GREENS-FUNCTION; SPECTRA;
D O I
10.1103/PhysRevB.107.115172
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The exchange-correlation hole and potential of the homogeneous electron gas have been investigated within the random-phase approximation, employing the plasmon-pole approximation for the linear density response function. The angular dependence as well as the time dependence of the exchange-correlation hole are illustrated for a Wigner-Seitz radius rs = 4 (atomic unit). It is found that there is a substantial cancellation between exchange and correlation potentials in space and time, analogous to the cancellation of exchange and correlation self-energies. Analysis of the sum rule explains why it is more advantageous to use a noninteracting Green function than a renormalized one when calculating the response function within the random-phase approximation and consequently the self-energy within the well-established GW approximation. The present study provides a starting point for more accurate and comprehensive calculations of the exchange-correlation hole and potential of the electron gas with the aim of constructing a model based on the local density approximation as in density functional theory.
引用
收藏
页数:19
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