Search results for "Quantum monte carlo"
showing 10 items of 76 documents
The behavior of correlation functions in trans-polyacetylene: quantum Monte Carlo study
2002
We present results of a quantum Monte Carlo simulation of the one-dimensional half-filled Hubbard model to study different correlation functions in the trans-polyacetylene (t-PA) polymer. Magnetic structure of the model in t-PA is studied for a different range values of the Hubbard repulsion interactions, U and V ,w here U 4t , with V ∈[ U/2 ,U ] (t is the hopping matrix elements). In this work, we investigate the behavior of the magnetic correlation functions for different phases transitions between different ordering (antiferromagnetic and ferromagnetic) by varying the nearest-neighbor interactions U and V between different atomic sites. Our results indicate that there is a presence of a …
Monte carlo methods in quantum many-body theories
2008
This is an introduction of Monte Carlo methods for beginners and their application to some quantum many-body problems. Special emphasis is done on the methodology and the general characteristics of Monte Carlo calculations. An introduction to the applications to many-body physics, specifically the Variational Monte Carlo and the Green Function Monte Carlo, is also included.
Medium-range interactions and crossover to classical critical behavior
1996
We study the crossover from Ising-like to classical critical behavior as a function of the range R of interactions. The power-law dependence on R of several critical amplitudes is calculated from renormalization theory. The results confirm the predictions of Mon and Binder, which were obtained from phenomenological scaling arguments. In addition, we calculate the range dependence of several corrections to scaling. We have tested the results in Monte Carlo simulations of two-dimensional systems with an extended range of interaction. An efficient Monte Carlo algorithm enabled us to carry out simulations for sufficiently large values of R, so that the theoretical predictions could actually be …
Critical phenomena without “hyper scaling”: How is the finite-size scaling analysis of Monte Carlo data affected?
2010
Abstract The finite size scaling analysis of Monte Carlo data is discussed for two models for which hyperscaling is violated: (i) the random field Ising model (using a model for a colloid-polymer mixture in a random matrix as a representative) (ii) The Ising bi-pyramid in computing surface fields.
Path-integral Monte Carlo study of crystalline Lennard-Jones systems.
1995
The capability of the path-integral Monte Carlo (PIMC) method to describe thermodynamic and structural properties of solids at low temperatures is studied in detail, considering the noble-gas crystals as examples. In order to reduce the systematic limitations due to finite Trotter number and finite particle number we propose a combined Trotter and finite-size scaling. As a special application of the PIMC method we investigate $^{40}\mathrm{Ar}$ at constant volume and in the harmonic approximation. Furthermore, isotope effects in the lattice constant of $^{20}\mathrm{Ne}$ and $^{22}\mathrm{Ne}$ are computed at zero pressure. The obtained results are compared with classical Monte Carlo result…
Cluster Expansions and Variational Monte Carlo in Medium Light Nuclei
1993
The B1 Brink-Boeker effective interaction is used to compute variational upper bounds for the ground state energy of nuclei from 16 O up to 40 Ca. The calculations are carried out by means of the Variational Monte Carlo method and with a multiplicative cluster expansion up to fourth 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.
On the adoption of the Monte Carlo method to solve one-dimensional steady state thermal diffusion problems for non-uniform solids
2013
Abstract The present paper is focussed on the investigation of the potential adoption of the Monte Carlo method to solve one-dimensional, steady state, thermal diffusion problems for continuous solids characterised by an isotropic, space-dependent conductivity tensor and subjected to non-uniform heat power deposition. To this purpose the steady state form of Fourier’s heat diffusion equation relevant to a continuous, heterogeneous and isotropic solid, undergoing a space-dependent heat power density has been solved in a closed analytical form for the general case of Cauchy’s boundary conditions. The thermal field obtained has been, then, put in a peculiar functional form, indicating that it …
Equation of State for Macromolecules of Variable Flexibility in Good Solvents: A Comparison of Techniques for Monte Carlo Simulations of Lattice Mode…
2007
The osmotic equation of state for the athermal bond fluctuation model on the simple cubic lattice is obtained from extensive Monte Carlo simulations. For short macromolecules (chain length N=20) we study the influence of various choices for the chain stiffness on the equation of state. Three techniques are applied and compared in order to critically assess their efficiency and accuracy: the repulsive wall method, the thermodynamic integration method (which rests on the feasibility of simulations in the grand canonical ensemble), and the recently advocated sedimentation equilibrium method, which records the density profile in an external (e.g. gravitation-like) field and infers, via a local …
Mott insulator: Tenth-order perturbation theory extended to infinite order using a quantum Monte Carlo scheme
2005
We present a method based on the combination of analytical and numerical techniques within the framework of the dynamical mean-field theory. Building upon numerically exact results obtained in an improved quantum Monte Carlo scheme, tenth-order strong-coupling perturbation theory for the Hubbard model on the Bethe lattice is extrapolated to infinite order. We obtain continuous estimates of energy $E$ and double occupancy $D$ with unprecedented precision $\mathcal{O}({10}^{\ensuremath{-}5})$ for the Mott insulator above its stability edge ${U}_{c1}\ensuremath{\approx}4.78$ as well as critical exponents. The relevance for recent experiments on Cr-doped ${\mathrm{V}}_{2}{\mathrm{O}}_{3}$ is po…