Search results for "Diffusion Monte Carlo"
showing 10 items of 21 documents
Magic numbers, excitation levels, and other properties of small neutral 4He clusters (Nor = 50).
2006
The ground-state energies and the radial and pair distribution functions of neutral 4He clusters are systematically calculated by the diffusion Monte Carlo method in steps of one 4He atom from 3 to 50 atoms. In addition the chemical potential and the low-lying excitation levels of each cluster are determined with high precision. These calculations reveal that the "magic numbers" observed in experimental 4He cluster size distributions, measured for free jet gas expansions by nondestructive matter-wave diffraction, are not caused by enhanced stabilities. Instead they are explained in terms of an enhanced growth due to sharp peaks in the equilibrium concentrations in the early part of the expa…
On the Lindemann criterion for quantum clusters at very low temperature.
2011
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 L…
Microscopic calculations of the hipernucleus λ5He
1993
Ground state results for the hypernucleus λ5He are reported. They have been calculated with a variatonal Jastrow-like trial wave function and also within the Diffusion Monte Carlo method. Simple central potential have been used to describe NN and λN interactions. The validity of the rigid core approximation is discussed. Guardiola Barcena, Rafael, Rafael.Guardiola@ific.uv.es Navarro Salas, Jose, Jose.Navarro@ific.uv.es
Diffraction of neutral helium clusters: evidence for "magic numbers".
2004
The size distributions of neutral 4He clusters in cryogenic jet beams, analyzed by diffraction from a 100 nm period transmission grating, reveal magic numbers at N=10-11, 14, 22, 26-27, and 44 atoms. Whereas magic numbers in nuclei and clusters are attributed to enhanced stabilities, this is not expected for quantum fluid He clusters on the basis of numerous calculations. These magic numbers occur at threshold sizes for which the quantized excitations calculated with the diffusion Monte Carlo method are stabilized, thereby providing the first experimental confirmation for the energy levels of 4He clusters.
Mg impurity in helium droplets.
2011
Within the diffusion Monte Carlo approach, we have determined the structure of isotopically pure and mixed helium droplets doped with one magnesium atom. For pure 4He clusters, our results confirm those of M. Mella et al. [J. Chem. Phys. 123, 054328 (2005)] that the impurity experiences a transition from a surface to a bulk location as the number of helium atoms in the droplet increases. Contrarily, for pure 3He clusters Mg resides in the bulk of the droplet due to the smaller surface tension of this isotope. Results for mixed droplets are presented. We have also obtained the absorption spectrum of Mg around the 3s3p 1P_1 <-- 3s2 1S_0 transition.
Structure of metastable 2D liquid helium
2007
We present diffusion Monte Carlo (DMC) results on a novel, superfluid phase in two-dimensional 4He at densities higher than 0.065 A-2, which is very close to the freezing density. The new phase has anisotropic, hexatic orbital order, but the single-particle density remains constant. By increasing density the hexatic superfluid forms a metastable state, which lies above the crystal ground state in energy. This implies that the liquid-solid phase transition takes place in two stages: a second-order phase transition from the isotropic superfluid to the hexatic superfluid, followed by a first-order transition that localizes atoms into the triangular crystal order.
Path integral Monte Carlo study of the internal quantum state dynamics of a generic model fluid
1996
We study the quantum dynamics of a generic model fluid with internal quantum states and classical translational degrees of freedom in two spatial dimensions. The path integral Monte Carlo data for the imaginary time correlation functions are presented and analyzed by the maximum entropy method. A comparison of the frequency distribution with those of a mean field approximation and virial expansion shows good agreement at high and low densities, respectively. \textcopyright{} 1996 The American Physical Society.
Monte Carlo study of asymmetric 2D XY model
1997
Employing the Polyakov-Susskind approximation in a field theoretical treatment, the t-J model for strongly correlated electrons in two dimensions has recently been shown to map effectively onto an asymmetric two-dimensional classical XY model. The critical temperature at which charge-spin separation occurs in the t-J model is determined by the location of the phase transitions of this effective model. Here we report results of Monte Carlo simulations which map out the complete phase diagram in the two-dimensional parameter space and also shed some light on the critical behaviour of the transitions.
Density functional study of two-dimensionalHe4clusters
2005
Binding energies and density profiles of two-dimensional systems of liquid He-4 with different geometries are studied by means of a zero-range density functional adjusted to reproduce the line tension obtained in a previous diffusion Monte Carlo calculation (lambda_{DMC}=0.121 K/A). It is shown that this density functional provides accurate results for the binding energy of large clusters with a reasonable computational effort.
A diffusion Monte Carlo study of small para-Hydrogen clusters
2007
Abstract An improved Monte Carlo diffusion model is used to calculate the ground state energies and chemical potentials of parahydrogen clusters of three to forty molecules, using two different p-H2-p-H2 interactions. The improvement is due to three-body correlations in the importance sampling, to the time step adjustment and to a better estimation of statistical errors. In contrast to path-integral Monte Carlo results, this method predicts no magic clusters other than that with thirteen molecules.