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Hydrogen single-particle dynamics in solid LiH at T=20 K has been studiedthrough the incoherent inelastic neutron scattering technique. A carefulanalysis of the scattering data has allowed for the determination of a reliablehydrogen-projected density of phonon states and, from this, of three relevantphysical quantities: mean squared displacement, mean kinetic energy, andEinstein frequency. In order to interpret these experimental findings, afully-quantum microscopic calculation has been carried out using thevariational Monte Carlo method. The agreement achieved between neutronscattering data and Monte Carlo estimates is good. In addition, a purelyharmonic calculation has been also performed via the same Monte Carlo code, butanharmonic effects in H dynamics were not found relevant. The possiblelimitations of the present semi-empirical potentials are finally discussed.Comment: RevTex, 19 pages, accepted for publication in PR

Quantum hydrogen vibrational dynamics in LiH: Neutron-scattering measurements and variational Monte Carlo simulations