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On the Proper Normalization Constraint
Author(s) -
Chang TseChiang
Publication year - 1985
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.198500001
Subject(s) - normalization (sociology) , rayleigh quotient , quotient , constraint (computer aided design) , chemistry , rayleigh scattering , mathematics , pure mathematics , quantum mechanics , physics , geometry , sociology , anthropology , eigenvalues and eigenvectors
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.