Skip navigation
Skip navigation

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

Hollett, Joshua; Gill, Peter

Description

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
URI: http://hdl.handle.net/1885/62820
Source: Journal of Chemical Theory and Computation (JCTC)
DOI: 10.1021/ct300218c

Download

File Description SizeFormat Image
01_Hollett_Distributions_of_r_1_⋅r_2__and_2012.pdf279.53 kBAdobe PDF    Request a copy


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  23 August 2018/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator