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Optimized potential method for ensembles of excited states

✍ Scribed by Á. Nagy

Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
163 KB
Volume
69
Category
Article
ISSN
0020-7608

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✦ Synopsis

The optimized potential method is derived for ensembles of excited states. The ensemble Hartree᎐Fock method is introduced and ensemble Hartree᎐Fock equations are derived. By posing the ensemble Hartree᎐Fock method as an ensemble density functional one, an ensemble exchange potential is derived. By approximating the ensemble Hartree᎐Fock orbitals with the ensemble Kohn᎐Sham ones, the generalized Ž . version of the Krieger᎐Li᎐Iafrate KLI approximation to the optimized effective potential Ž .

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