Critical Analysis of Non-Nuclear Electron-Density Maxima and the Maximum Entropy Method

Vries de, R.Y. and Briels, W.J. and Feil, D. (1996) Critical Analysis of Non-Nuclear Electron-Density Maxima and the Maximum Entropy Method. Physical Review Letters, 77 (9). pp. 1719-1711. ISSN 0031-9007

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Abstract:	Experimental evidence for the existence of non-nuclear maxima in charge densities is questioned. It is shown that the non-nuclear maxima reported for silicon are artifacts of the maximum entropy method that was used to analyze the x-ray diffraction data. This method can be improved by the use of appropriate prior information. We report systematic tests of the improved method leading to the absence of non-nuclear maxima in Si. Likewise, the non-nuclear maxima reported earlier in beryllium are not substantiated.
Item Type:	Article
Copyright:	© 1996 The American Physical Society
Faculty:	Science and Technology (TNW)
Research Group:	Computational Biophysics (CBP)
Link to this item:	http://purl.utwente.nl/publications/59115
Official URL:	http://dx.doi.org/10.1103/PhysRevLett.77.1719
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