Article ID Journal Published Year Pages File Type
5394610 Computational and Theoretical Chemistry 2012 5 Pages PDF
Abstract
► The short-range behavior of several electron-pair densities is governed by ρ2(0, 0) in common. ► The two-electron ρ2(0, 0) is exactly determined by the single-electron ρ(0) in the Hartree-Fock theory. ► The effect of electron correlation on the above relation is discussed for some light atoms.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Short-range behavior of some electron-pair densities
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