Nanoscale Quantum Solvation of para-H2_2 around the Linear OCS Molecule inside 4^4He Droplets

We present a microscopic analysis of the quantum solvation structures of para-H$_2$ around the OCS molecule when embedded in low temperature $^4$He droplets. The structures of clusters containing M=5 and 6 para-H$_2$ molecules are compared with corresponding structures for M=1 (OCS-H$_2$ complex) and M=17 (a full solvation shell), as well as with the clusters in the absence of helium. We find that the helium has negligible effect on the structures for the small and large OCS(H$_2$)$_M$ clusters, but that it modifies the cluster structure for M=6. We discuss implications of these results for the onset of superfluidity in the solvating hydrogen shell and for spectroscopic measurements.Comment: 4 pages, 2 figures, accepted for publication in J. Low Temp. Phy

Microscopic two-fluid theory of rotational constants of the OCS-H2_2 complex in 4^4He droplets

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.Comment: 11 pages, 5 figures, accepted for publication in J. Chem. Phy

Path integral Monte Carlo simulation of global and local superfluidity in liquid 4^{4}He reservoirs separated by nanoscale apertures

We present a path integral Monte Carlo study of the global superfluid fraction and local superfluid density in cylindrically-symmetric reservoirs of liquid $^{4}$He separated by nanoaperture arrays. The superfluid response to both translations along the axis of symmetry (longitudinal response) and rotations about the cylinder axis (transverse response) are computed, together with radial and axial density distributions that reveal the microscopic inhomogeneity arising from the combined effects of the confining external potential and the $^4$He-$^4$He interatomic potentials. We make a microscopic determination of the length-scale of decay of superfluidity at the radial boundaries of the system by analyzing the local superfluid density distribution to extract a displacement length that quantifies the superfluid mass displacement away from the boundary. We find that the longitudinal superfluid response is reduced in reservoirs separated by a septum containing sufficiently small apertures compared to a cylinder with no intervening aperture array, for all temperatures below $T_{\lambda}$. For a single aperture in the septum, a significant drop in the longitudinal superfluid response is seen when the aperture diameter is made smaller than twice the empirical temperature-dependent $^4$He healing length, consistent with the formation of a weak link between the reservoirs. Increasing the diameter of a single aperture or the number of apertures in the array results in an increase of the superfluid density toward the expected bulk value.Comment: 12 pages, 6 figure

The finite-temperature Monte Carlo method and its application to superfluid helium clusters

We review the use of the path integral Monte Carlo (PIMC) methodology to the study of finite-size quantum clusters, with particular emphasis on recent applications to pure and impurity-doped He clusters. We describe the principles of PIMC, the use of the multilevel Metropolis method for sampling particle permutations, and the methods used to accurately incorporate anisotropic molecule-helium interactions into the path integral scheme. Applications to spectroscopic studies of embedded atoms and molecules are summarized, with discussion of the new concepts of local and nanoscale superfluidity that have been generated by recent PIMC studies of the impurity-doped He clusters.Comment: P. Huang, Y. Kwon, and K. B. Whaley, in "Quantum Fluids in Confinement", Vol. 4 of "Advances in Quantum Many-Body Theories", edited by E. Krotscheck and J. Navarro (World Scientific, Singapore, 2002), in pres

Fractional ac Josephson effect in p- and d-wave superconductors

For certain orientations of Josephson junctions between two p_x-wave or two d-wave superconductors, the subgap Andreev bound states produce a 4pi-periodic relation between the Josephson current I and the phase difference phi: I sin(phi/2). Consequently, the ac Josephson current has the fractional frequency eV/h, where V is the dc voltage. In the tunneling limit, the Josephson current is proportional to the first power (not square) of the electron tunneling amplitude. Thus, the Josephson current between unconventional superconductors is carried by single electrons, rather than by Cooper pairs. The fractional ac Josephson effect can be observed experimentally by measuring frequency spectrum of microwave radiation from the junction. We also study junctions between singlet s-wave and triplet p_x-wave, as well as between chiral p_x + ip_y-wave superconductors.Comment: v. 5: minor update of references in proofs; v.4: minor improvements; v.3: major expansion to 13 pages, 6 figures; v.2: significantly expanded to 6 pages; v.1: 4 pages, 2 figures, RevTeX