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Is correlation energy proportional to exchange energy?

โœ Scribed by Juvencio Robles; Gary Kemister

Book ID
103023916
Publisher
Elsevier Science
Year
1987
Tongue
English
Weight
613 KB
Volume
134
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The speculation is made and empirically tested that the correlation energy (E,) is proportional to the exchange energy (K) . Excellent results are obtained at the Hartree-Fock level for 17 atoms (2 < Z< 18) and 15 molecules. For the atoms E,= & K and for the molecules E,= & K. Similar relationships are obtained with two density functional theories, Xa and the local density approximation (LDA) exchange, with different proportionality constants.

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