Simple classical mapping of the spin-polarized quantum electron gas: Distribution functions and local-field corrections

被引:95
作者
Dharma-Wardana, MWC [1 ]
Perrot, F
机构
[1] Natl Res Council Canada, Ottawa, ON K1A 0R6, Canada
[2] Ctr Etud Bruyeres Le Chatel, F-91689 Bruyeres Le Chatel, France
关键词
D O I
10.1103/PhysRevLett.84.959
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We use the now well known spin unpolarized exchange-correlation energy E-xc of the uniform electron gas as the basic "many-body" input to determine the temperature T-q of a classical Coulomb fluid having the same correlation energy as the quantum system. It is shown that the spin-polarized pair distribution functions (SPDFs) of the classical fluid at T-q, obtained using the hypernetted chain equation, are in excellent agreement with those of the T = 0 quantum fluid obtained by quantum Monte Carlo (QMC) simulations. These methods are computationally simple and easily applied to problems which are currently beyond QMC simulations. Results are presented for the SPDFs and the local-field corrections to the response functions of the electron fluid at T = 0 and finite T.
引用
收藏
页码:959 / 962
页数:4
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