1,403 research outputs found
A Maximum Entropy Method of Obtaining Thermodynamic Properties from Quantum Monte Carlo Simulations
We describe a novel method to obtain thermodynamic properties of quantum
systems using Baysian Inference -- Maximum Entropy techniques. The method is
applicable to energy values sampled at a discrete set of temperatures from
Quantum Monte Carlo Simulations. The internal energy and the specific heat of
the system are easily obtained as are errorbars on these quantities. The
entropy and the free energy are also obtainable. No assumptions as to the
specific functional form of the energy are made. The use of a priori
information, such as a sum rule on the entropy, is built into the method. As a
non-trivial example of the method, we obtain the specific heat of the
three-dimensional Periodic Anderson Model.Comment: 8 pages, 3 figure
A novel FLEX supplemented QMC approach to the Hubbard model
This paper introduces a novel ansatz-based technique for solution of the
Hubbard model over two length scales. Short range correlations are treated
exactly using a dynamical cluster approximation QMC simulation, while
longer-length-scale physics requiring larger cluster sizes is incorporated
through the introduction of the fluctuation exchange (FLEX) approximation. The
properties of the resulting hybrid scheme are examined, and the description of
local moment formation is compared to exact results in 1D. The effects of
electron-electron coupling and electron doping on the shape of the
Fermi-surface are demonstrated in 2D. Causality is examined in both 1D and 2D.
We find that the scheme is successful if QMC clusters of are used
(with sufficiently high temperatures in 1D), however very small QMC clusters of
lead to acausal results
Gap States in Dilute Magnetic Alloy Superconductors
We study states in the superconducting gap induced by magnetic impurities
using self-consistent quantum Monte Carlo with maximum entropy and formally
exact analytic continuation methods. The magnetic impurity susceptibility has
different characteristics for T_{0} \alt T_{c0} and T_{0} \agt T_{c0}
(: Kondo temperature, : superconducting transition temperature)
due to the crossover between a doublet and a singlet ground state. We
systematically study the location and the weight of the gap states and the gap
parameter as a function of and the concentration of the
impurities.Comment: 4 pages in ReVTeX including 4 encapsulated Postscript figure
Diagrammatic perturbation theory and the pseudogap
We study a model of quasiparticles on a two-dimensional square lattice
coupled to Gaussian distributed dynamical fields. The model describes
quasiparticles coupled to spin or charge fluctuations and is solved by a Monte
Carlo sampling of the molecular field distributions. The non-perturbative
solution is compared to various approximations based on diagrammatic
perturbation theory. When the molecular field correlations are sufficiently
weak, the diagrammatic calculations capture the qualitative aspects of the
quasiparticle spectrum. For a range of model parameters near the magnetic
boundary, we find that the quasiparticle spectrum is qualitatively different
from that of a Fermi liquid in that it shows a double peak structure, and that
the diagrammatic approximations we consider fail to reproduce, even
qualitatively, the results of the Monte Carlo calculations. This suggests that
the pseudogap induced by a coupling to antiferromagnetic fluctuations and the
spin-splitting of the quasiparticle peak induced by a coupling to ferromagnetic
spin-fluctuations lie beyond diagrammatic perturbation theory
Efficient calculation of the antiferromagnetic phase diagram of the 3D Hubbard model
The Dynamical Cluster Approximation with Betts clusters is used to calculate
the antiferromagnetic phase diagram of the 3D Hubbard model at half filling.
Betts clusters are a set of periodic clusters which best reflect the properties
of the lattice in the thermodynamic limit and provide an optimal finite-size
scaling as a function of cluster size. Using a systematic finite-size scaling
as a function of cluster space-time dimensions, we calculate the
antiferromagnetic phase diagram. Our results are qualitatively consistent with
the results of Staudt et al. [Eur. Phys. J. B 17 411 (2000)], but require the
use of much smaller clusters: 48 compared to 1000
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