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

Hollett, JoshuaGill, Peter2015-12-101549-9618http://hdl.handle.net/1885/62820We 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 ofDistributions of r 1 ⋅r 2 and p 1 ⋅p 2 in atoms201210.1021/ct300218c2015-12-10