Static Density Response Function of a Degenerate Electron Gas Calculated by Quantal Hyper-Netted Chain Equation

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概要

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• The density distribution n(r|ν) around a fixed electron in an electron gas with density n_0 is calculated by the two quantal versions (QHNC and QHNC') of the hyper-netted chain (HNC) equation, which gives the radial distribution function g(r) in the best fit with the computer simulation of the classical electron liquid. The one (QHNC) is derived from the Hohenberg-Kohn-Sham formalism by treating the kinetic energy in an exact manner and the other (QHNC') is obtained by approximating it as in the Thomas-Fermi theory. The result is compared with those of the Hartree and Sjolander-Stott equations. In the high density region (r_s=1) where the exchange-correlation effect is small, the QHNC n(r|ν) is virtually identical with the Hartree n(r|ν): this may be considered as providing a numerical evidence for the validity of the Ansatz that the Fourier transform of n(r|ν)-n_0 is represented in terms of the static density-density response function χ_Q. With the aid of this Ansatz, χ_Q is calculated from the QHNC and QHNC' equations. The local-field factor G(Q) in χ_Q calculated by QHNC has a maximum and two types of singularities in its slope at Q=2Q_F (Q_F; the Fermi wave-vector) and approaches a constant value 1-n(r=0|ν)/n_0 in the large wave-vector limit, while the QHNC' G(Q) increases monotonically with Q, which is similar to that of Singwi's group. This difference indicates that in the calculation of G(Q) it is important to treat the kinetic energy in an exact manner.

• 理論物理学刊行会の論文
• 1979-12-25

著者

• SASAKI Ken

  Japan Atomic Energy Research Institute

• CHIHARA Junzo

  Japan Atomic Energy Research Institute

• Sasaki Ken

  Japan Atomic Energy Research Institute Tokai-mura

• SASAKI Ken

  Japan Atomic Energy Research Institute, Tokai-mura

• CHIHARA Junzo

  Department of Physics, Japan Atomic Energy Research Institute

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