Quantum Hydrodynamic Model for the enhanced moments of Inertia of molecules in Helium Nanodroplets: Application to SF${}_6$

Abstract

The increase in moment of inertia of SF${}_6$ in helium nanodroplets is calculated using the quantum hydrodynamic approach. This required an extension of the numerical solution to the hydrodynamic equation to three explicit dimensions. Based upon an expansion of the density in terms of the lowest four Octahedral spherical harmonics, the predicted increase in moment of inertia is $170\mathrm{u}{\mathring{\mathrm{A}}}^2$, compared to an experimentally determined value of $310(10)\mathrm{u}{\mathring{\mathrm{A}}}^2$, i.e., 55% of the observed value. The difference is likely in at least part due to lack of convergence with respect to the angular expansion, but at present we do not have access to the full densities from which a higher order expansion can be determined. The present results contradict those of Kwon et al., J. Chem. Phys. {\bf 113}, 6469 (2000), who predicted that the hydrodynamic theory predicted less than 10% of the observed increase in moment of inertia.

10 pages, including 1 figure

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