APPLICATION OF INFORMATION-THEORY TO COMPTON PROFILES

The information theoretic technique of entropy maximization has been applied to Compton profile (CP) data, employing single distribution moments 〈p〉 and 〈p2〉 (average momentum and energy respectively) as constraints. Two relations between various CP parameters, viz., J(0) 〈p〉=N2 and J2(0)|E|= 3N3/4π, have thereby been obtained. The momentum constraint predicts J(0) and the half-width, q0.5, of the profiles quite well. A comparison of these results to some earlier empirically established correlations between J(0), q0.5 and molecular energy has been made. © 1979 American Institute of Physics.