Dynamic exchange-correlation potentials for the electron gas in dimensionality D=3 and D=2

被引:68
作者
Nifosi, R [1 ]
Conti, S
Tosi, MP
机构
[1] Scuola Normale Super Pisa, Ist Nazl Fis Mat, I-56126 Pisa, Italy
[2] Scuola Normale Super Pisa, Classe Sci, I-56126 Pisa, Italy
关键词
D O I
10.1103/PhysRevB.58.12758
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Recent progress in the formulation of a fully dynamical local approximation to time-dependent density functional theory appeals to the longitudinal and transverse components of the exchange and correlation kernel in the linear current-density response of the homogeneous fluid at long wavelength Both components are evaluated for the electron gas in dimensionality D=3 and D=2 by an approximate decoupling in the equation of motion for the current density, which accounts for processes of excitation of two electron-hole pairs. Each pair is treated in the random phase approximation, but the role of exchange and correlation is also examined; in addition, final-state exchange processes are included phenomenologically so as to satisfy the exactly known high-frequency behaviors of the kernel. The transverse and longitudinal spectra involve the same decay channels and are similar in shape. A two-plasmon threshold in the spectrum for two-pair excitations in D=3 leads to a sharp minimum in the real part of the exchange and correlation kernel at twice the plasma frequency. In D=2 the same mechanism leads to a broad spectral peak and to a broad minimum in the real part of the kernel, as a consequence of the dispersion law of the plasmon vanishing at long wavelength. The numerical results have been fitted to simple analytic functions. [S0163-1829(98)04436-1].
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页码:12758 / 12769
页数:12
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