Strong-interaction limit of density-functional theory
Strong-interaction limit of density-functional theory
复制标题
密度泛函理论的强相互作用极限
DOI：
10.1103/physreva.60.4387
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发表时间：
1999
影响因子：
2.9
通讯作者：
M. Seidl
中科院分区：
文献类型：
--
作者：
M. Seidl
电子可以具有给定的平滑密度分布 ρ (r)，即使它们的库仑相互作用缩放至无穷大。密度泛函理论的这种强相互作用极限提供了有关真实电子系统相关能的重要信息。这里分析严格相关电子（SCE）的简单概念作为该极限的模型。 SCE 可以精确求解任何一维 (1D) N 电子密度，特别是任何 3D 球形双电子系统，例如氦原子。 SCE 相互作用能和 SCE 外势（此处作为密度泛函获得）都遵循未知真实强相互作用极限中对应量的所有已知关系。在大但有限的相互作用下，电子仍然强相关，在 SCE 极限附近进行零点振荡。
Electrons can have a given smooth density distribution ρ (r), even if their Coulomb interaction is scaled to infinity. This strong-interaction limit of density-functional theory provides essential information on the correlation energy of real electron systems. The simple concept of strictly correlated electrons (SCE) is analyzed here as a model for that limit. SCE is solved exactly for any one-dimensional (1D) N-electron density and, in particular, for any 3D spherical two-electron system, such as the helium atom. Both the SCE interaction energy and the SCE external potential, which are obtained here as density functionals, obey all the relations known for the corresponding quantities in the unknown true strong-interaction limit. At large but finite interaction, the electrons are still strongly correlated, performing zero-point oscillations about the SCE limit.