MAXIMUM-ENTROPY ANALYSIS OF MOMENTUM DENSITIES IN DIATOMIC-MOLECULES

The one-particle density in momentum space gamma(p) is studied for dia tomic molecules by using the maximum-entropy technique. The knowledge of one or more momentum expectation values [p(n)] provides approximati ons on the density gamma(p) for any value of the momentum, which are c onvergent when increasing the number of known moments. Other unknown e xpectation values are estimated in terms of the constructed maximum-en tropy densities. A numerical study of the quality of the approximation s is carried out by means of experimental and theoretical data for the momentum expectation Values involved. Experimental errors are also ta ken into account to have an idea of the sensibility of the results to the information from which they are obtained. (C) 1997 John Wiley & So ns, Inc.