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Corrections to coupled Hartree–Fock theory: the rearrangement effect

✍ Scribed by A. K. Bhattacharya; R. K. Moitra; A. Mukherji

Book ID
104578639
Publisher
John Wiley and Sons
Year
1975
Tongue
English
Weight
336 KB
Volume
9
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

In this communication we discuss a method of incorporating corrections to the coupled Hartree–Fock (CHF) formalism by introducing the so‐called “rearrangement effect.” In this we take account of the relaxation of the core orbitals when excitations from a starting Hartree–Fock wave function occur. The magnitude of this correction numerically is found to be quite significant for the polarizabilities of two‐electron atomic systems, results for which are reported.

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