Stochastic Green's function approach to disordered systems

Based on distributions of local Green's functions we present a stochastic approach to disordered systems. Specifically we address Anderson localisation and cluster effects in binary alloys. Taking Anderson localisation of Holstein polarons as an example we discuss how this stochastic approach can be used for the investigation of interacting disordered systems.Comment: 12 pages, 7 figures, conference proceedings: Progress in Nonequilibrium Green's Functions III, 22-26 August 2005, University of Kiel, German

High-order commutator-free exponential time-propagation of driven quantum systems

We discuss the numerical solution of the Schr\"odinger equation with a time-dependent Hamilton operator using commutator-free time-propagators. These propagators are constructed as products of exponentials of simple weighted sums of the Hamilton operator. Owing to their exponential form they strictly preserve the unitarity of time-propagation. The absence of commutators or other computationally involved operations allows for straightforward implementation and application also to large scale and sparse matrix problems. We explain the derivation of commutator-free exponential time-propagators in the context of the Magnus expansion, and provide optimized propagators up to order eight. An extensive theoretical error analysis is presented together with practical efficiency tests for different problems. Issues of practical implementation, in particular the use of the Krylov technique for the calculation of exponentials, are discussed. We demonstrate for two advanced examples, the hydrogen atom in an electric field and pumped systems of multiple interacting two-level systems or spins that this approach enables fast and accurate computations.Comment: 32 pages, 12 figures. Final version as published in J. Comp. Phy

Non-equilibrium current and electron pumping in nanostructures

We discuss a numerical method to study electron transport in mesoscopic devices out of equilibrium. The method is based on the solution of operator equations of motion, using efficient Chebyshev time propagation techniques. Its peculiar feature is the propagation of operators backwards in time. In this way the resource consumption scales linearly with the number of states used to represent the system. This allows us to calculate the current for non-interacting electrons in large one-, two- and three-dimensional lead-device configurations with time-dependent voltages or potentials. We discuss the technical aspects of the method and present results for an electron pump device and a disordered system, where we find transient behaviour that exists for a very long time and may be accessible to experiments.Comment: 4 pages, 3 figures. Contribution to the International Conference on Magnetism (ICM) 2009 in Karlsruh

Sparse polynomial space approach to dissipative quantum systems: Application to the sub-ohmic spin-boson model

We propose a general numerical approach to open quantum systems with a coupling to bath degrees of freedom. The technique combines the methodology of polynomial expansions of spectral functions with the sparse grid concept from interpolation theory. Thereby we construct a Hilbert space of moderate dimension to represent the bath degrees of freedom, which allows us to perform highly accurate and efficient calculations of static, spectral and dynamic quantities using standard exact diagonalization algorithms. The strength of the approach is demonstrated for the phase transition, critical behaviour, and dissipative spin dynamics in the spin boson modelComment: 4 pages, 4 figures, revised version accepted for publication in PR

Nonequilibrium quantum fluctuation relations for harmonic systems in nonthermal environments

We formulate exact generalized nonequilibrium fluctuation relations for the quantum mechanical harmonic oscillator coupled to multiple harmonic baths. Each of the different baths is prepared in its own individual (in general nonthermal) state. Starting from the exact solution for the oscillator dynamics we study fluctuations of the oscillator position as well as of the energy current through the oscillator under general nonequilibrium conditions. In particular, we formulate a fluctuation-dissipation relation for the oscillator position autocorrelation function that generalizes the standard result for the case of a single bath at thermal equilibrium. Moreover, we show that the generating function for the position operator fullfills a generalized Gallavotti-Cohen-like relation. For the energy transfer through the oscillator, we determine the average energy current together with the current fluctuations. Finally, we discuss the generalization of the cumulant generating function for the energy transfer to nonthermal bath preparations.Comment: 21 page

A Green's function decoupling scheme for the Edwards fermion-boson model

Holes in a Mott insulator are represented by spinless fermions in the fermion-boson model introduced by Edwards. Although the physically interesting regime is for low to moderate fermion density the model has interesting properties over the whole density range. It has previously been studied at half-filling in the one-dimensional (1D) case by numerical methods, in particular exact diagonalization and density matrix renormalization group (DMRG). In the present study the one-particle Green's function is calculated analytically by means of a decoupling scheme for the equations of motion, valid for arbitrary density in 1D, 2D and 3D with fairly large boson energy and zero boson relaxation parameter. The Green's function is used to compute some ground state properties, and the one-fermion spectral function, for fermion densities n=0.1, 0.5 and 0.9 in the 1D case. The results are generally in good agreement with numerical results obtained by DMRG and dynamical DMRG and new light is shed on the nature of the ground state at different fillings. The Green's function approximation is sufficiently successful in 1D to justify future application to the 2D and 3D cases.Comment: 19 pages, 7 figures, final version with updated reference

Solution of the Holstein polaron anisotropy problem

We study Holstein polarons in three-dimensional anisotropic materials. Using a variational exact diagonalization technique we provide highly accurate results for the polaron mass and polaron radius. With these data we discuss the differences between polaron formation in dimension one and three, and at small and large phonon frequency. Varying the anisotropy we demonstrate how a polaron evolves from a one-dimensional to a three-dimensional quasiparticle. We thereby resolve the issue of polaron stability in quasi-one-dimensional substances and clarify to what extent such polarons can be described as one-dimensional objects. We finally show that even the local Holstein interaction leads to an enhancement of anisotropy in charge carrier motion.Comment: 6 pages, 7 figures; extended version accepted for publication in Phys. Rev.