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

摘要

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.