We present an experimental and path integral Monte Carlo study of the singlemolecule dynamics in fluid parahydrogen. The experiment consists in an inelastic neutron scattering determination of the translational kinetic energy, <Ek>, as a function of temperature at a density close to the triple point. Experimental and simulated values of <Ek> are found to be in good agreement in the investigated temperature range. Discrepancies are found with a simple harmonic model parametrized by the value of the zero-point kinetic energy.
Temperature dependence of molecular kinetic energy in dense fluid parahydrogen
Colognesi D;
1997
Abstract
We present an experimental and path integral Monte Carlo study of the singlemolecule dynamics in fluid parahydrogen. The experiment consists in an inelastic neutron scattering determination of the translational kinetic energy,File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
