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Author Mateo, D.; Barranco, M.; Navarro, J. doi  openurl
  Title Elementary excitations in superfluid He-3-He-4 mixtures Type Journal Article
  Year (up) 2010 Publication Physical Review B Abbreviated Journal Phys. Rev. B  
  Volume 82 Issue 13 Pages 134529 - 13pp  
  Keywords  
  Abstract We have studied the dynamic structure function of superfluid He-3-He-4 mixtures at zero temperature as a function of pressure and He-3 concentration. Results obtained in the full random-phase approximation (RPA) plus density-functional theory and in a generalized Landau-Pomeranchuk approach are presented and compared with experiment. Analytic expressions for several sum rules of the dynamic structure functions have been determined, and have been used to obtain average energies of the collective excitations. In the RPA approach, the dispersion relation of the collective modes shows typical features of level repulsion between zero-soundlike and phonon-rotonlike excitations. The structure of the coupled RPA equations for the mixture leads in a natural way to the hybridization of the collective modes. The mixed He-3-He-4 dynamic structure function quenches the zero-soundlike mode before it crosses the phonon-roton branch, causing that the former mode only appears with enough strength after the crossing.  
  Address [Mateo, David; Barranco, Manuel] Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain  
  Corporate Author Thesis  
  Publisher Amer Physical Soc Place of Publication Editor  
  Language English Summary Language Original Title  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121 ISBN Medium  
  Area Expedition Conference  
  Notes ISI:000283291200005 Approved no  
  Is ISI yes International Collaboration no  
  Call Number IFIC @ elepoucu @ Serial 354  
Permanent link to this record
 

 
Author Warnecke, S.; Sevryuk, M.B.; Ceperley, D.M.; Toennies, J.P.; Guardiola, R.; Navarro, J. doi  openurl
  Title The structure of para-hydrogen clusters Type Journal Article
  Year (up) 2010 Publication European Physical Journal D Abbreviated Journal Eur. Phys. J. D  
  Volume 56 Issue 3 Pages 353-358  
  Keywords  
  Abstract The path integral Monte Carlo calculated radial distributions of para-hydrogen clusters (p-H-2) N consisting of N = 4-40 molecules interacting via a Lennard-Jones potential at T = 1.5 K show evidence for additional peaks compared to radial distributions calculated by diffusion Monte Carlo (T = 0 K) and path integral Monte Carlo at T <= 0.5 K. The difference in structures is attributed to quantum delocalization at the lowest temperature. The new structures at finite temperatures appear to be consistent with classical structures calculated for an effective Morse potential, which in order to account for the large zero point energy, is substantially softer than the Lennard-Jones potential.  
  Address [Warnecke, S.; Sevryuk, M. B.; Toennies, J. P.] Max Planck Inst Dynam & Self Org, D-37073 Gottingen, Germany, Email: navarro@ific.uv.es  
  Corporate Author Thesis  
  Publisher Springer Place of Publication Editor  
  Language English Summary Language Original Title  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1434-6060 ISBN Medium  
  Area Expedition Conference  
  Notes ISI:000274327600008 Approved no  
  Is ISI yes International Collaboration yes  
  Call Number IFIC @ elepoucu @ Serial 505  
Permanent link to this record
 

 
Author Navarro, J.; Guardiola, R. doi  openurl
  Title Thermal Effects on Small Para-Hydrogen Clusters Type Journal Article
  Year (up) 2011 Publication International Journal of Quantum Chemistry Abbreviated Journal Int. J. Quantum Chem.  
  Volume 111 Issue 2 Pages 463-471  
  Keywords atomic and molecular clusters; phase transitions in clusters; structure of clusters; molecular hydrogen and isotopes  
  Abstract A brief review of different quantum Monte Carlo simulations of small (p-H-2)(N) clusters is presented. The clusters are viewed as a set of N structureless p-H-2 molecules, interacting via an isotropic pairwise potential. Properties as superfluidity, magic numbers, radial structure, excitation spectra, and abundance production of (p-H-2)(N) clusters are discussed and, whenever possible, a comparison with He-4(N) droplets is presented. All together, the simulations indicate that temperature has a paradoxical effect of the properties of (p-H-2)(N) clusters, as they are solid-like at high T and liquid-like at low T, due to quantum delocalization at the lowest temperature.  
  Address [Navarro, Jesus; Guardiola, Rafael] Univ Valencia, CSIC, IFIC, Valencia 46071, Spain, Email: navarro@ific.uv.es  
  Corporate Author Thesis  
  Publisher John Wiley & Sons Inc Place of Publication Editor  
  Language English Summary Language Original Title  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-7608 ISBN Medium  
  Area Expedition Conference  
  Notes ISI:000285311400028 Approved no  
  Is ISI yes International Collaboration no  
  Call Number IFIC @ pastor @ Serial 589  
Permanent link to this record
 

 
Author Guardiola, R.; Navarro, J. doi  openurl
  Title On the Lindemann Criterion for Quantum Clusters at Very Low Temperature Type Journal Article
  Year (up) 2011 Publication Journal of Physical Chemistry A Abbreviated Journal J. Phys. Chem. A  
  Volume 115 Issue 25 Pages 6843-6850  
  Keywords  
  Abstract The Lindemann criterion to discern the solid-like or liquid-like nature of a quantum cluster at T = 0 is discussed. A critical analysis of current Lindemann parameters is presented and a new parameter is proposed that is appropriate to study quantum clusters made of identical particles. A simple model wave function is introduced to fix the range of variation of these parameters. The model presents two extreme limits that correspond to either a liquid-like or a solid-like system; besides, it fulfills the Bose symmetry and also permits evaluations without symmetrization. Variational and diffusion Monte Carlo calculations are also performed for clusters of spinless bosons interacting through Lennard-Jones potentials. It is shown that the liquid-like or solid-like character of quantum clusters at zero temperature cannot be simply established in terms of a single parameter.  
  Address [Guardiola, R.; Navarro, J.] Univ Valencia, CSIC, IFIC, Valencia 46071, Spain, Email: navarro@ific.uv.es  
  Corporate Author Thesis  
  Publisher Amer Chemical Soc Place of Publication Editor  
  Language English Summary Language Original Title  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1089-5639 ISBN Medium  
  Area Expedition Conference  
  Notes ISI:000291895500012 Approved no  
  Is ISI yes International Collaboration no  
  Call Number IFIC @ elepoucu @ Serial 669  
Permanent link to this record
 

 
Author Navarro, J.; Ancilotto, F.; Barranco, M.; Pi, M. url  doi
openurl 
  Title Toward a Density Functional Description of Liquid pH(2) Type Journal Article
  Year (up) 2011 Publication Journal of Physical Chemistry A Abbreviated Journal J. Phys. Chem. A  
  Volume 115 Issue 25 Pages 6910-6917  
  Keywords  
  Abstract A finite-temperature density functional approach to describe the properties of parahydrogen in the liquid vapor coexistence region is presented. The first proposed functional is zero-range, where the density-gradient term is adjusted so as to reproduce the surface tension of the liquid vapor interface at low temperature. The second functional is finite-range and, while it is fitted to reproduce bulk pH(2) properties only, it is shown to yield surface properties in good agreement with experiments. These functionals are used to study the surface thickness of the liquid vapor interface, the wetting transition of parahydrogen on a planar Rb model surface, and homogeneous cavitation in bulk liquid pH(2).  
  Address [Navarro, J.] CSIC, IFIC, Valencia 46071, Spain, Email: manuel@ecm.ub.es  
  Corporate Author Thesis  
  Publisher Amer Chemical Soc Place of Publication Editor  
  Language English Summary Language Original Title  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1089-5639 ISBN Medium  
  Area Expedition Conference  
  Notes ISI:000291895500021 Approved no  
  Is ISI yes International Collaboration yes  
  Call Number IFIC @ elepoucu @ Serial 670  
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