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On the hypervirial theorem and the scaling problem
Author(s) -
Gopinathan M. S.
Publication year - 1976
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560100608
Subject(s) - virial theorem , scaling , wave function , diagonal , harmonic oscillator , harmonic , scale (ratio) , mathematics , physics , statistical physics , quantum mechanics , geometry , galaxy
It is shown that wave‐functions obtained by a limited number of off‐diagonal hypervirial relations are often out of scale. Optimum scaling of these functions so as to satisfy the virial theorem gives highly improved wave‐functions and expectation values. The harmonic oscillator problem is treated as an example.