Search results for " Monte Carlo"
showing 10 items of 400 documents
Orbital-selective Mott transitions in the 2-band J_z-model: a high-precision quantum Monte Carlo study
2005
Using high-precision quantum Monte Carlo (QMC) simulations within the framework of dynamical mean field theory (DMFT), we show that the anisotropic degenerate two-orbital Hubbard model contains two consecutive orbital-selective Mott transitions (OSMTs) even in the absence of spin-flip terms and pair-hopping processes. In order to reveal the second transition we carefully analyze the low-frequency part of the self-energy and the local spectral functions. This paper extends our previous work to lower temperatures. We discuss the nature - in particular the order - of both Mott transitions and list various possible extensions.
Discriminating antiferromagnetic signatures in systems of ultracold fermions by tunable geometric frustration
2013
Recently, it has become possible to tune optical lattices continuously between square and triangular geometries. We compute thermodynamics and spin correlations in the corresponding Hubbard model using a determinant quantum Monte Carlo technique and show that the frustration effects induced by the variable hopping terms can be clearly separated from concomitant bandwidth changes by a proper rescaling of the interaction. An enhancement of the double occupancy by geometric frustration signals the destruction of nontrivial antiferromagnetic correlations at weak coupling and entropy $s\ensuremath{\lesssim}\mathrm{ln}(2)$ (and restores Pomeranchuk cooling at strong frustration), paving the way t…
Momentum structure of the self-energy and its parametrization for the two-dimensional Hubbard model
2016
We compute the self-energy for the half-filled Hubbard model on a square lattice using lattice quantum Monte Carlo simulations and the dynamical vertex approximation. The self-energy is strongly momentum dependent, but it can be parametrized via the non-interacting energy-momentum dispersion $\varepsilon_{\mathbf{k}}$, except for pseudogap features right at the Fermi edge. That is, it can be written as $\Sigma(\varepsilon_{\mathbf{k}},\omega)$, with two energy-like parameters ($\varepsilon$, $\omega$) instead of three ($k_x$, $k_y$ and $\omega$). The self-energy has two rather broad and weakly dispersing high energy features and a sharp $\omega= \varepsilon_{\mathbf{k}}$ feature at high tem…
The high-temperature dynamics of a mean-field Potts glass
2002
Abstract We use Monte Carlo simulations to investigate the dynamic properties of the ten-state infinite-range Potts glass. By analyzing the spin autocorrelation function for system sizes up to N = 2560, we show that strong finite size effects are present around the predicted dynamic transition temperature. The autocorrelation function shows strong self-averaging at high temperatures, whereas close to the dynamic transition shows lack of self-averaging.
Single-cluster Monte Carlo study of the Ising model on two-dimensional random lattices.
1994
We use the single-cluster Monte Carlo update algorithm to simulate the Ising model on two-dimensional Poissonian random lattices with up to 80,000 sites which are linked together according to the Voronoi/Delaunay prescription. In one set of simulations we use reweighting techniques and finite-size scaling analysis to investigate the critical properties of the model in the very vicinity of the phase transition. In the other set of simulations we study the approach to criticality in the disordered phase, making use of improved estimators for measurements. From both sets of simulations we obtain clear evidence that the critical exponents agree with the exactly known exponents for regular latti…
Application of the Monte Carlo coherent-anomaly method to two-dimensional lattice-gas systems with further-neighbor interactions
1990
A Monte Carlo version of the coherent-anomaly method has been used to determine critical properties of a two-dimensional Ising ferromagnet with nearest- and next-nearest-neighbor interactions and of a series of two-dimensional lattice-gas systems of particles interacting via 6-12 Lennard-Jones potential. It has demonstrated that the method leads to quite accurate determination of critical temperature but is less successful when used to determine the values of critical exponents \ensuremath{\gamma} and \ensuremath{\nu}.
Phase Transitions in Classical Fluids and Fluids with Internal Quantum States in Two Dimensions: Computer Simulations and Theory
1993
1)We investigate the properties of a model fluid whose molecules have classical degrees of freedom in two dimensions and two internal quantum states. The attractive interactions are “turned on” when the internal states are hybridized, corresponding to the molecules acquiring a “dipole” moment. The phase diagram of this system in the temperature- density plane is investigated by a combination of path integral Monte Carlo and block size analysis techniques. The results are compared with mean- field—theory predictions. 2) We present molecular dynamics simulation results of quenches into the unstable region of a two-dimensional Lennard-Jones system. The evolution of the system from the non-equi…
Solvation of triplet Rydberg states of molecular hydrogen in superfluid helium
2004
We report ab initio interaction potentials, transition dipole moments, and radiative lifetimes for the four lowest triplet states of ${\mathrm{H}}_{2}:$ $b$ ${}^{3}{\ensuremath{\Sigma}}_{u}^{+},$ $c$ ${}^{3}{\ensuremath{\Pi}}_{u},$ $a$ ${}^{3}{\ensuremath{\Sigma}}_{g}^{+},$ and $e$ ${}^{3}{\ensuremath{\Sigma}}_{u}^{+},$ and their response to the perturbation due to approaching ground state He atom. Hybrid density functional\char21{}quantum Monte Carlo calculations employing the ab initio interaction potentials are then used for calculating the liquid structure around the molecular excimers in bulk superfluid ${}^{4}\mathrm{He}.$ Calculations demonstrate a wide variety of possible solvation …
Monte Carlo simulation of correlated electrons in disordered systems
1992
Abstract The properties of many-electron states in disordered systems with long-range electron-eletron interaction are investigated by means of a Monte Carlo simulation. Using the Metropolis algorithm, three-dimensional systems up to 512 sites are systematically analysed. The low-lying excitations are investigated in order to distinguish between one-particle and many-particle hopping. In the interesting regime in which disorder and correlation effects are equally important we find that variable-range hopping is insignificant for electron transfer when compared with the contribution from nearest-neighbour one-electron hopping processes as well as variable-number hopping.
Quantum Monte Carlo methods
2005
Introduction In most of the discussion presented so far in this book, the quantum character of atoms and electrons has been ignored. The Ising spin models have been an exception, but since the Ising Hamiltonian is diagonal (in the absence of a transverse magnetic field), all energy eigenvalues are known and the Monte Carlo sampling can be carried out just as in the case of classical statistical mechanics. Furthermore, the physical properties are in accord with the third law of thermodynamics for Ising-type Hamiltonians (e.g. entropy S and specific heat vanish for temperature T → 0, etc.) in contrast to the other truly classical models dealt with in previous chapters (e.g. classical Heisenbe…