Microscopic two-fluid theory of rotational constants of the OCS-H$_2$ complex in $^4$He droplets

Details Microscopic two-fluid theory of rotational constants of the OCS-H$_2$ complex in $^4$He droplets Microscopic two-fluid theory of rotational constants of the OCS-H$_2$ complex in $^4$He droplets

2003-05-09

arxiv.org/abs/cond-mat/0305218v1

Physics

Condensed Matter

11 pages, 5 figures, accepted for publication in J. Chem. Phys

Scientific paper

10.1063/1.1582850

We present a microscopic quantum analysis for rotational constants of the OCS-H$_2$ complex in helium droplets using the local two-fluid theory in conjunction with path integral Monte Carlo simulations. Rotational constants are derived from effective moments of inertia calculated assuming that motion of the H$_2$ molecule and the local non-superfluid helium density is rigidly coupled to the molecular rotation of OCS and employing path integral methods to sample the corresponding H$_2$ and helium densities. The rigid coupling assumption for H$_2$-OCS is calibrated by comparison with exact calculations of the free OCS-H$_2$ complex. The presence of the H$_2$ molecule is found to induce a small local non-superfluid helium density in the second solvation shell which makes a non-negligible contribution to the moment of inertia of the complex in helium. The resulting moments of inertia for the OCS-H$_2$ complex embedded in a cluster of 63 helium atoms are found to be in good agreement with experimentally measured values in large helium droplets. Implications for analysis of rotational constants of larger complexes of OCS with multiple H$_2$ molecules in helium are discussed.

Affiliated with

Also associated with

No associations

Rating

Microscopic two-fluid theory of rotational constants of the OCS-H$_2$ complex in $^4$He droplets does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Microscopic two-fluid theory of rotational constants of the OCS-H$_2$ complex in $^4$He droplets, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Microscopic two-fluid theory of rotational constants of the OCS-H$_2$ complex in $^4$He droplets will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-154962