van der Waals clusters in the ultraquantum limit: A Monte Carlo study

Meierovich, M.; Mushinski, A.; Nightingale, M. P.
October 1996
Journal of Chemical Physics;10/15/1996, Vol. 105 Issue 15, p6498
Academic Journal
Bosonic van der Waals clusters of sizes three, four, and five are studied by diffusion quantum Monte-Carlo techniques. In particular we study the unbinding transition, the ultraquantum limit where the ground state ceases to exist as a bound state. We discuss the quality of trial wave functions used in the calculations, the critical behavior in the vicinity of the unbinding transition, and simple improvements of the diffusion Monte Carlo algorithm. © 1996 American Institute of Physics.


Related Articles

  • Cluster analogs of binary isotopic mixtures: Path integral Monte Carlo simulations. Chakravarty, Charusita // Journal of Chemical Physics;5/8/1996, Vol. 104 Issue 18, p7223 

    The structure of quantum clusters composed of binary isotopic mixtures is studied using Fourier path integral Monte Carlo simulations. Such clusters display a purely quantum analog of the segregation phenomenon observed in classical binary clusters with the lighter isotope preferentially located...

  • Quantum statistical mechanical simulation of the ion–water cluster I-(H2O)n: The importance of nuclear quantum effects and anharmonicity. Gai, Huadong; Schenter, Gregory K.; Dang, Liem X.; Garrett, Bruce C. // Journal of Chemical Physics;11/15/1996, Vol. 105 Issue 19, p8835 

    Monte Carlo simulations of quantum statistical mechanical properties using the Feynman path integral method were carried out at temperatures of 70, 100, 200, and 300 K to study the structure and energetics of the ion–water cluster I-(H2O)n, with n=1–6. Simulation results at low...

  • A variational Monte Carlo study of argon, neon, and helium clusters. Rick, Steven W.; Lynch, D. L.; Doll, J. D. // Journal of Chemical Physics;9/1/1991, Vol. 95 Issue 5, p3506 

    Clusters of rare gas atoms provide an interesting setting for the study of the issue of quantum mechanical localization. The properties of these clusters of 2–7 atoms are calculated using variational Monte Carlo methods. To our knowledge, this is the first variational Monte Carlo study of...

  • Path-integral Monte Carlo studies of para-hydrogen clusters. Scharf, Daphna; Klein, Michael L.; Martyna, Glenn J. // Journal of Chemical Physics;9/1/1992, Vol. 97 Issue 5, p3590 

    Path-integral Monte Carlo calculations have been used to study para-hydrogen clusters, (p-H2)N, with N=13, 19, 33, and 34. Particular attention has been given to the low temperature structures and their evolution with increasing temperature. The structures of these quantum clusters have a clear...

  • Many-body trial wave functions for atomic systems and ground states of small noble gas clusters. Mushinski, Andrei; Nightingale, M.P. // Journal of Chemical Physics;11/15/1994, Vol. 101 Issue 10, p8831 

    Clusters of sizes ranging from two to five are studied by variational quantum Monte Carlo techniques. The clusters consist of Ar, Ne, and hypothetical lighter (‘‘1/2-Ne’’) atoms. A general form of trial function is developed for which the variational bias is...

  • Europium dimer: van der Waals molecule with extremely weak antiferromagnetic spin coupling. Buchachenko, Alexei A.; Chałasinski, Grzegorz; Szczęśniak, Małgorzata M. // Journal of Chemical Physics;12/28/2009, Vol. 131 Issue 24, p241102 

    High-level ab initio calculations reveal that the Eu2 dimer is a van der Waals molecule with extremely weak antiferromagnetic spin coupling. The Heisenberg spin-exchange model, validated by the multireference configuration interaction method, is used to construct the full set of model...

  • Selective correlation scheme within diffusion quantum Monte Carlo. Schautz, Friedemann; Flad, Heinz-Ju¨rgen // Journal of Chemical Physics;5/1/2002, Vol. 116 Issue 17, p7389 

    We present a selective correlation scheme allowing us to correlate only subsets of electrons, which can be assigned to arbitrary groups of orbitals, within diffusion quantum Monte Carlo calculations. The set of occupied orbitals, obtained from an all-electron mean-field calculation, is divided...

  • Dynamics of Eden Clusters: Confirmation of Appert–Derrida Universality. Weichsel, Ingo // International Journal of Modern Physics C: Computational Physics;Jun2000, Vol. 11 Issue 4, p691 

    Universality of ratios of cumulants depends on the minor changes in the definition of time.

  • The DSUBm approximation scheme for the coupled cluster method and applications to quantum magnets. Bishop, R. F.; Li, P. H. Y.; Schulenburg, J. // Condensed Matter Physics;Sep2009, Vol. 12 Issue 3, p479 

    A new approximate scheme, DSUBm, is described for the coupled cluster method. We apply it to two wellstudied (spin-½ Heisenberg antiferromagnet) spin-lattice models, namely: the XXZ and the XY models on the square lattice in two dimensions. Results are obtained in each case for the...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics