On the hypervirial theorem and the scaling problem

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...

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Veröffentlicht in:	Int. J. Quant. Chem.; (United States) 1976-11, Vol.10 (6), p.975-983
1. Verfasser:	Gopinathan, M. S.
Format:	Artikel
Sprache:	eng
Schlagworte:	657002 - Theoretical & Mathematical Physics- Classical & Quantum Mechanics CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS DIFFERENTIAL EQUATIONS EQUATIONS EQUATIONS OF MOTION EXPECTATION VALUE FUNCTIONS HARMONIC OSCILLATORS HEISENBERG PICTURE INVARIANCE PRINCIPLES SCALE INVARIANCE WAVE FUNCTIONS
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Beschreibung
Zusammenfassung:	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.
ISSN:	0020-7608 1097-461X
DOI:	10.1002/qua.560100608