An energy functional of electron-pair density

Koga, Toshikatsu
October 1990
Journal of Chemical Physics;10/15/1990, Vol. 93 Issue 8, p5856
Academic Journal
The electron-pair (or intracule) density is the probability density function for an interelectronic vector and is intimately related to the electron correlation in many-electron systems. Based on the local scaling method, a theory is presented for the direct variational determination of the electron-pair density. Illustrative applications are given for the ground state of the helium atom. Simple electron-pair density functions are reported which compare quantitatively with the exact density.


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