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
相关论文
共 50 条
  • [41] Accurate Exchange-Correlation Energies for the Warm Dense Electron Gas
    Malone, Fionn D.
    Blunt, N. S.
    Brown, Ethan W.
    Lee, D. K. K.
    Spencer, J. S.
    Foulkes, W. M. C.
    Shepherd, James J.
    PHYSICAL REVIEW LETTERS, 2016, 117 (11)
  • [42] Antiadiabatic limit of the exchange-correlation kernels of an inhomogeneous electron gas
    Nazarov, V. U.
    Tokatly, I. V.
    Pittalis, S.
    Vignale, G.
    PHYSICAL REVIEW B, 2010, 81 (24):
  • [43] Exchange-correlation potential built on the derivative discontinuity of electron density
    Huang, Chen
    JOURNAL OF CHEMICAL PHYSICS, 2024, 161 (08):
  • [44] Constructing a map from the electron density to the exchange-correlation potential
    Lucks, JB
    Cohen, AJ
    Handy, NC
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2002, 4 (19) : 4612 - 4618
  • [45] EXCHANGE-CORRELATION POTENTIAL FOR ONE-ELECTRON EXCITATIONS IN A SEMICONDUCTOR
    HANKE, W
    GOLZER, T
    MATTAUSCH, HJ
    SOLID STATE COMMUNICATIONS, 1984, 51 (01) : 23 - 26
  • [46] RELATIVISTIC EXCHANGE-CORRELATION POTENTIAL FOR INHOMOGENEOUS ELECTRON-SYSTEMS
    RAMANA, MV
    RAJAGOPAL, AK
    BULLETIN OF THE AMERICAN PHYSICAL SOCIETY, 1981, 26 (03): : 470 - 471
  • [47] Uniform electron gas limit of an exact expression for the Kohn-Sham exchange-correlation potential
    Staroverov, Viktor N.
    THEORETICAL CHEMISTRY ACCOUNTS, 2018, 137 (09)
  • [48] EXCHANGE AND EXCHANGE-CORRELATION FUNCTIONALS BASED ON THE GRADIENT CORRECTION OF THE ELECTRON-GAS
    LEE, H
    BARTOLOTTI, LJ
    PHYSICAL REVIEW A, 1991, 44 (03): : 1540 - 1542
  • [49] Including nonlocality in the exchange-correlation kernel from time-dependent current density functional theory: Application to the stopping power of electron liquids
    Nazarov, V. U.
    Pitarke, J. M.
    Takada, Y.
    Vignale, G.
    Chang, Y. -C.
    PHYSICAL REVIEW B, 2007, 76 (20):
  • [50] Many-body diagrammatic expansion for the exchange-correlation kernel in time-dependent density functional theory
    Tokatly, IV
    Stubner, R
    Pankratov, O
    PHYSICAL REVIEW B, 2002, 65 (11): : 1 - 4