Data di Pubblicazione:
2002
Abstract:
We have obtained the double-differential incoherent neutron scattering cross section of liquid and solid
parahydrogen in various thermodynamic conditions using TOSCA, a time-of-flight, inverse geometry, crystal
analyzer spectrometer, operating at the pulsed neutron source ISIS. The measured cross section provides direct
experimental access to the self part of the center-of-mass inelastic structure factor of the parahydrogen molecules
in the system. Data have been corrected for the experimental effects and then analyzed in the framework
of the Young-Koppel model and the Gaussian approximation. The velocity autocorrelation functions and their
energy spectra have been obtained from a fitting procedure, making use of the quantum generalized Langevin
equation and of model memory functions, and finally compared to the most recent results of both molecular
centroid dynamics and self-consistent quantum mode-coupling theory. Some dynamic quantities were also
related to simple equilibrium properties and simulated through a standard path integral Monte Carlo code.
Results are very interesting but still urge for further developments of theoretical and dynamic simulation
approaches, as well as for more extensive experimental efforts.
Tipologia CRIS:
01.01 Articolo in rivista
Elenco autori:
Celli, Milva; Colognesi, Daniele; Zoppi, Marco
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