Spherical momentum distribution of the protons in hexagonal ice from modeling of inelastic neutron scattering data

摘要

The spherical momentum distribution of the protons in ice is extracted from a high resolution deep inelastic neutron scattering experiment. Following a recent path integral Car-Parrinello molecular dynamics study, data were successfully interpreted in terms of an anisotropicud Gaussian model, with a statistical accuracy comparable to that of theud model independent scheme used previously, but providing more detailedud information on the three dimensional potential energy surfaceud experienced by the proton. A recently proposed theoretical concept isud also employed to directly calculate the mean force from the experimentalud neutron Compton profile, and to evaluate the accuracy required toud unambiguously resolve and extract the effective proton potential from the experimental data