International Journal of Quantum Chemistry

Correlation hole and physical properties: A model calculation

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The correlation hole of Coulson and Nielson and its extension to momentum space by Banyard and Reed is studied by using an exactly solvable model. For this model all relevant quantities pertaining to the correlation hole have been calculated exactly. We use this model to study the relationship between the fit to the correlation hole for an approximate wave function and the closeness of the approximate energies to the exact ones. We show that, although in general the better the fit the closer are the approximate physical quantities to the exact ones, there are exceptions where that is not the case. Also, we present a convenient method for the calculation of the two particle distribution in momentum space and generalize the concept of the correlation hole by defining it in the pseudophase space of position and momentum. Copyright © 1986 John Wiley & Sons, Inc.


19 Oct 2004


International Journal of Quantum Chemistry