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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 41, 1980 - Issue 5
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Original Articles

Extraction of momentum expectation values from Compton profiles

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Pages 1153-1162 | Received 29 Apr 1980, Published online: 22 Aug 2006
 

Abstract

A linear combination of hydrogenic lorentzian functions is proposed as a model for fitting isotropic Compton profiles, and it is suggested that normalization, peak and asymptotic constraints be imposed on the fit. Numerical tests with both theoretical and simulated experimental data for neon indicate that the expectation values ⟨p -2⟩, ⟨p⟩ and ⟨p 2⟩ can be predicted by the model within 1 per cent accuracy using profile data accurate to 1 per cent and extending up to q≈5 ħa -1 0. An accurate asymptotic constraint is shown to be essential if better than 10 per cent accuracy is to be obtained for ⟨p 3⟩ and ⟨p 4⟩.

Work supported by the Natural Sciences and Engineering Research Council of Canada. Part of the material in this paper was presented at the Sagamore VI Conference held in Mt. Tremblant, Canada, during August 1979.

Work supported by the Natural Sciences and Engineering Research Council of Canada. Part of the material in this paper was presented at the Sagamore VI Conference held in Mt. Tremblant, Canada, during August 1979.

Notes

Work supported by the Natural Sciences and Engineering Research Council of Canada. Part of the material in this paper was presented at the Sagamore VI Conference held in Mt. Tremblant, Canada, during August 1979.

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