An energy functional of electron-pair density | Zendy

Toshikatsu Koga | Zendy

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An energy functional of electron-pair density

Author(s) -

Toshikatsu Koga

Publication year - 1990

Publication title -

the journal of chemical physics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.071

H-Index - 357

eISSN - 1089-7690

pISSN - 0021-9606

DOI - 10.1063/1.459581

Subject(s) - electron , electron density , density functional theory , atomic physics , electron pair , helium atom , atom (system on chip) , ground state , electron localization function , scaling , physics , chemistry , quantum mechanics , mathematics , geometry , computer science , embedded system

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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