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Register a new userThe Stochastic Green Function (SGF) algorithm
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V.G. Rousseau
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We present the Stochastic Green Function (SGF) algorithm designed for bosons on lattices. This new quantum Monte Carlo algorithm is independent of the dimension of the system, works in continuous imaginary time, and is exact (no error beyond statistical errors). Hamiltonians with several species of bosons (and one-dimensional Bose-Fermi Hamiltonians) can be easily simulated. Some important features of the algorithm are that it works in the canonical ensemble and gives access to n-body Green functions.
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In a recent publication (Phys. Rev E 77, 056705 (2008)),we have presented the stochastic Green function (SGF) algorithm, which has the properties of being general and easy to apply to any lattice Hamiltonian of the form H=V-T, where V is diagonal in the chosen occupation number basis and T has only positive matrix elements. We propose here a modified version of the update scheme that keeps the simplicity and generality of the original SGF algorithm, and enhances significantly its efficiency.
A methodical derivation of RKKY interaction in framework of T=0 Green function method is given in great detail. The article is complimentary to standard textbooks on the physics of magnetism and condensed matter physics. It is shown that the methods of statistical mechanics gives a standard and probably simplest derivation of the exchange interaction. A parallel with theory of plasma waves demonstrates the relation between the Fourier transformation of polarization operator of degenerate electron gas at zero frequency and the space dependence of the indirect electron exchange due to itinerant electrons.
A general solution for vacancy-mediated diffusion in the dilute-vacancy/dilute-solute limit for arbitrary crystal structures is derived from the master equation. A general numerical approach to the vacancy lattice Green function reduces to the sum of a few analytic functions and numerical integration of a smooth function over the Brillouin zone for arbitrary crystals. The Dyson equation solves for the Green function in the presence of a solute with arbitrary but finite interaction range to compute the transport coefficients accurately, efficiently and automatically, including cases with very large differences in solute-vacancy exchange rates. The methodology takes advantage of the space group symmetry of a crystal to reduce the complexity of the matrix inversion in the Dyson equation. An open-source implementation of the algorithm is available, and numerical results are presented for the convergence of the integration error of the bare vacancy Green function, and tracer correlation factors for a variety of crystals including wurtzite (hexagonal diamond) and garnet.
In this paper, we propose a new derivation for the Green-Kubo relationship for the liquid-solid friction coefficient, characterizing hydrodynamic slippage at a wall. It is based on a general Langevin approach for the fluctuating wall velocity, involving a non-markovian memory kernel with vanishing time integral. The calculation highlights some subtleties of the wall-liquid dynamics, leading to superdiffusive motion of the fluctuating wall position.
The Green-Kubo formula relates the spatial diffusion coefficient to the stationary velocity autocorrelation function. We derive a generalization of the Green-Kubo formula valid for systems with long-range or nonstationary correlations for which the standard approach is no longer valid. For the systems under consideration, the velocity autocorrelation function $langle v(t+tau) v(t) rangle$ asymptotically exhibits a certain scaling behavior and the diffusion is anomalous $langle x^2(t) rangle simeq 2 D_ u t^{ u}$. We show how both the anomalous diffusion coefficient $D_ u$ and exponent $ u$ can be extracted from this scaling form. Our scaling Green-Kubo relation thus extends an important relation between transport properties and correlation functions to generic systems with scale invariant dynamics. This includes stationary systems with slowly decaying power law correlations as well as aging systems, whose properties depend on the the age of the system. Even for systems that are stationary in the long time limit, we find that the long time diffusive behavior can strongly depend on the initial preparation of the system. In these cases, the diffusivity $D_{ u}$ is not unique and we determine its values for a stationary respectively nonstationary initial state. We discuss three applications of the scaling Green-Kubo relation: Free diffusion with nonlinear friction corresponding to cold atoms diffusing in optical lattices, the fractional Langevin equation with external noise recently suggested to model active transport in cells and the Levy walk with numerous applications, in particular blinking quantum dots. These examples underline the wide applicability of our approach, which is able to treat very different mechanisms of anomalous diffusion.
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