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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 51, 1984 - Issue 3
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Original Articles

Moments of the reduced local energy

A convenient measure of the local accuracy of atomic Hartree-Fock wavefunctions

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Pages 835-847 | Received 03 Oct 1983, Accepted 24 Oct 1983, Published online: 22 Aug 2006
 

Abstract

Compact measures of the local accuracy of a wavefunction are proposed. They are defined in terms of the reduced local energy. These compact measures are applied to examine the local accuracy in different regions of configuration space for some well known Hartree-Fock wavefunctions from helium through argon.

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