Can correlation bring electrons closer together?
Can correlation bring electrons closer together?
复制标题
DOI：
10.1080/00268970902740563
复制
发表时间：
2009-01-01
影响因子：
1.7
通讯作者：
Boyd, Russell J.
中科院分区：
文献类型：
--
作者：
Pearson, Jason K.;Gill, Peter M. W.;Boyd, Russell J.
我们讨论了氦原子和类氦离子基态的确切库仑空穴。我们发现，与Hartree-Fock波函数相比，关联波函数产生的找到大间隔电子的几率更小，从而导致了与直觉相反的结论，即关联使遥远的电子更接近。随着核电荷的增加，这种影响变得不那么明显。
We discuss the exact Coulomb hole for the ground state of the helium atom and helium-like ions. We find that the correlated wavefunction yields a smaller probability of finding the electrons at large separations than does the Hartree-Fock wavefunction, leading to the counterintuitive conclusion that correlation brings distant electrons closer together. This effect becomes less pronounced as the nuclear charge increases.