Intracule functional models

Peter M.W. Gill

doi:10.1039/c1pc90008k

Intracule functional models

Peter M.W. Gill^*

^*Corresponding author for this work

Research output: Contribution to journal › Review article › peer-review

13 Citations (Scopus)

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.

Original language	English
Pages (from-to)	229-241
Number of pages	13
Journal	Annual Reports on the Progress of Chemistry - Section C
Volume	107
DOIs	https://doi.org/10.1039/c1pc90008k
Publication status	Published - 2011

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title = "Intracule functional models",

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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journal = "Annual Reports on the Progress of Chemistry - Section C",

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DO - 10.1039/c1pc90008k

M3 - Review article

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VL - 107

SP - 229

EP - 241

JO - Annual Reports on the Progress of Chemistry - Section C

JF - Annual Reports on the Progress of Chemistry - Section C

ER -

Intracule functional models

Abstract

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