Local density functional for the short-range part of the electron-electron interaction

被引:28
|
作者
Zecca, L
Gori-Giorgi, P
Moroni, S
Bachelet, GB
机构
[1] Univ Roma La Sapienza, INFM, Ctr Stat Mech & Complex, I-00185 Rome, Italy
[2] Univ Roma La Sapienza, Dipartimento Fis, I-00185 Rome, Italy
关键词
D O I
10.1103/PhysRevB.70.205127
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Motivated by recent suggestions-to split the electron-electron interaction into a short-range part, to be treated within the density functional theory, and a long-range part, to be handled by other techniques-we compute, with a diffusion Monte Carlo method, the ground-state energy of a uniform electron gas with a modified, short-range-only electron-electron interaction erfc(mur)/r, for different values of the cutoff parameter mu and of the electron density. After deriving some exact limits, we propose an analytic representation of the correlation energy which accurately fits our Monte Carlo data and also includes, by construction, these exact limits, thus providing a reliable "short-range local-density functional."
引用
收藏
页码:205127 / 1
页数:6
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