Calculation of radial distribution function from incomplete experimental diffraction data

A method for calculating atomic radial distribution functions for amorphous materials has been suggested. The method is based on the principle of the maximum informational entropy. Under the condition of a limited amount of the experimental diffraction data, the method allows one to obtain the unique solution and considerably reduces the errors caused by series termination, which are inherent in traditional computational methods based on the Fourier transform. A criterion of using the method of optimum information is formulated, and the reliability of the data obtained are quantitatively estimated. The advantages of the method are demonstrated on the computation of the short-range order in hydrogenated amorphous silicon.