MAXIMUM-ENTROPY ANALYSIS OF ATOMIC COMPTON PROFILES

The maximum-entropy formalism is used to obtain approximations to the atomic Compton profile, J(q), in terms of the first few radial expecta tion values [p(n)] of the momentum density gamma(p). This method leads to the least-biased results by the information not used. In particula r, analytical and numerical approximations to the kinetic energy T and to the height of the peak J(0) and the half-width q(0.5) Of the Compt on profile are obtained. Our results generalize and improve some appro ximations to J(q) previously obtained by other authors. For illustrati on, the accuracy of these approximations are studied by means of near- Hartree-Fock wave functions. (C) 1995 John Wiley & Sons, Inc.