dorsal/arxiv
View SchemaQuantum Hydrodynamic Model for the enhanced moments of Inertia of molecules in Helium Nanodroplets: Application to SF$_6$
| Authors | Kevin K. Lehmann, Carlo Callegari |
|---|---|
| Categories | |
| ArXiv ID | physics/0109009 |
| URL | https://arxiv.org/abs/physics/0109009 |
| DOI | 10.1063/1.1486443 |
| Journal | J. Chem. Phys. 117, 1595-1603 (2002) |
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 $170 {\rm u \AA^2}$, compared to an experimentally determined value of $310(10) {\rm u \AA^2}$, 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.
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"abstract": "The increase in moment of inertia of SF$_6$ in helium nanodroplets is\ncalculated using the quantum hydrodynamic approach. This required an extension\nof the numerical solution to the hydrodynamic equation to three explicit\ndimensions. Based upon an expansion of the density in terms of the lowest four\nOctahedral spherical harmonics, the predicted increase in moment of inertia is\n$170 {\\rm u \\AA^2}$, compared to an experimentally determined value of $310(10)\n{\\rm u \\AA^2}$, i.e., 55% of the observed value. The difference is likely in at\nleast part due to lack of convergence with respect to the angular expansion,\nbut at present we do not have access to the full densities from which a higher\norder expansion can be determined. The present results contradict those of Kwon\net al., J. Chem. Phys. {\\bf 113}, 6469 (2000), who predicted that the\nhydrodynamic theory predicted less than 10% of the observed increase in moment\nof inertia.",
"arxiv_id": "physics/0109009",
"authors": [
"Kevin K. Lehmann",
"Carlo Callegari"
],
"categories": [
"physics.chem-ph"
],
"doi": "10.1063/1.1486443",
"journal_ref": "J. Chem. Phys. 117, 1595-1603 (2002)",
"title": "Quantum Hydrodynamic Model for the enhanced moments of Inertia of molecules in Helium Nanodroplets: Application to SF$_6$",
"url": "https://arxiv.org/abs/physics/0109009"
},
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