title: Spherical momentum distribution of the protons in hexagonal ice from modeling of inelastic neutron scattering data.
abstract: 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 anisotropic Gaussian model, with a statistical accuracy comparable to that of the model independent scheme used previously, but providing more detailed information on the three dimensional potential energy surface experienced by the proton. A recently proposed theoretical concept is also employed to directly calculate the mean force from the experimental neutron Compton profile, and to evaluate the accuracy required to unambiguously resolve and extract the effective proton potential from the experimental data.
authors.affiliation: Università degli Studi di Roma Tor Vergata, Dipartimento di Fisica and Centro NAST, Via della Ricerca Scientifica 1, 00133 Roma, Italy.
authors.forename: D
authors.initials: D
authors.lastname: Flammini
authors.forename: A
authors.initials: A
authors.lastname: Pietropaolo
authors.forename: R
authors.initials: R
authors.lastname: Senesi
authors.forename: C
authors.initials: C
authors.lastname: Andreani
authors.forename: F
authors.initials: F
authors.lastname: McBride
authors.forename: A
authors.initials: A
authors.lastname: Hodgson
authors.forename: M A
authors.initials: MA
authors.lastname: Adams
authors.forename: L
authors.initials: L
authors.lastname: Lin
authors.forename: R
authors.initials: R
authors.lastname: Car
mesh_terms: D007053:Ice; D056004:Molecular Dynamics Simulation; D033363:Neutron Diffraction; D011522:Protons; D053838:Scattering, Small Angle
chemical_list: D007053:Ice; D011522:Protons