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Two-electron distribution functions and intracules

Gill, Peter; O'Neill, Darragh P; Besley, Nicholas

Description

Two-electron distribution functions and intracules are functions of electronic coordinates and occupy an important, and frequently overlooked, middle ground between the beguiling simplicity of electron densities and the bewildering complexity of wavefunctions. We survey the functions that have been considered by earlier workers and introduce two new ones, the Wigner intracule and the action intracule, that have not previously been discussed. To illustrate their usefulness, we consider the...[Show more]

CollectionsANU Research Publications
Date published: 2003
Type: Journal article
URI: http://hdl.handle.net/1885/32119
Source: Theoretical Chemistry Accounts
DOI: 10.1007/s00214-002-0411-5

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