电子相关
量子化学维基,人人都可编辑的量子化学百科全书。
是指考虑电子结构的量子力学系统中电子间的相互作用."相关"这个称呼来源于数学统计学,意思是分布函数f(x)与g(y)相互之间并不独立。
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Mathematical viewpoint
For two independent electrons a and b,
,
where ρ(ra,rb) represents the joint electronic density, or the probability of finding electron a at ra and electron b at rb. Within this notation, ρ(ra,rb)dradrb represents the probability of finding the two electron in the respective volume elements dra and drb.
If these two electrons are correlated, then the probability of finding electron a at a certain position in space depends on the position of electron b, and vice versa. In other words, the product of their independent density functions does not adequately describe the real situation. At small distances, the uncorrelated pair density is too large, and too small at large distances - the electrons tend to "avoid each other".

