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Distributions of r 1 ⋅r 2 and p 1 ⋅p 2 in atoms

Hollett, Joshua; Gill, Peter


We consider the two-electron position and momentum dot products, α = r1·r2 and β = p1·p2, and present a method for extracting their distributions, A(α) and B(β), from molecular wave functions built on Gaussian basis functions. The characteristics of

CollectionsANU Research Publications
Date published: 2012
Type: Journal article
Source: Journal of Chemical Theory and Computation (JCTC)
DOI: 10.1021/ct300218c


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