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Intracule functional models

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Date

2011

Authors

Gill, Peter

Journal Title

Journal ISSN

Volume Title

Publisher

Royal Society of Chemistry

Abstract

After introducing the electron correlation problem, we discuss a variety of two-electron probability distributions (intracules), showing how these are interrelated and how they can be constructed from the results of standard molecular orbital calculations. We then consider how these intracules may be used to estimate molecular correlation energies.

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Keywords

Citation

URI

http://hdl.handle.net/1885/56949

Collections

ANU Research Publications

Source

Annual reports on the Progress of Chemistry. Section C: Physical Chemistry

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1039/C1PC90008K

Restricted until

2037-12-31

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01_Gill_Intracule_functional_mod_2011.pdf (1.32 MB)

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