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On the Proper Normalization Constraint
Authors:Tse-Chiang Chang
Abstract:In the variational optimization of a trial function the proper functional to be varied is the Rayleigh quotient with the normalization constraint explicitly imposed. It will be shown that only under certain very rigorous conditions can one use the energy functional to replace the Rayleigh quotient and that, therefore, the normalization constraint is by no means a matter of no consequence.
Keywords:Variational method  SCF method  EIL method
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