The Anderson model of localization: a challenge for modern eigenvalue methods

We present a comparative study of the application of modern eigenvalue algorithms to an eigenvalue problem arising in quantum physics, namely, the computation of a few interior eigenvalues and their associated eigenvectors for the large, sparse, real, symmetric, and indefinite matrices of the Anderson model of localization. We compare the Lanczos algorithm in the 1987 implementation of Cullum and Willoughby with the implicitly restarted Arnoldi method coupled with polynomial and several shift-and-invert convergence accelerators as well as with a sparse hybrid tridiagonalization method. We demonstrate that for our problem the Lanczos implementation is faster and more memory efficient than the other approaches. This seemingly innocuous problem presents a major challenge for all modern eigenvalue algorithms.Comment: 16 LaTeX pages with 3 figures include

An Efficient Block Circulant Preconditioner For Simulating Fracture Using Large Fuse Networks

{\it Critical slowing down} associated with the iterative solvers close to the critical point often hinders large-scale numerical simulation of fracture using discrete lattice networks. This paper presents a block circlant preconditioner for iterative solvers for the simulation of progressive fracture in disordered, quasi-brittle materials using large discrete lattice networks. The average computational cost of the present alorithm per iteration is $O(rs log s) + delops$, where the stiffness matrix ${\bf A}$ is partioned into $r$-by-$r$ blocks such that each block is an $s$-by-$s$ matrix, and $delops$ represents the operational count associated with solving a block-diagonal matrix with $r$-by-$r$ dense matrix blocks. This algorithm using the block circulant preconditioner is faster than the Fourier accelerated preconditioned conjugate gradient (PCG) algorithm, and alleviates the {\it critical slowing down} that is especially severe close to the critical point. Numerical results using random resistor networks substantiate the efficiency of the present algorithm.Comment: 16 pages including 2 figure

Algorithm for Solving Tri-diagonal Finite Volume Discretized Linear Systems

In this paper we present efficient computational algorithms for solving finite volume discretized tri-diagonal linear systems. The implementation of the algorithm for steady state finite volume structured grids linear system using MS Excel is presented. An example is given in order to illustrate the algorithms

Block Circulant and Toeplitz Structures in the Linearized Hartree–Fock Equation on Finite Lattices: Tensor Approach

This paper introduces and analyses the new grid-based tensor approach to approximate solution of the elliptic eigenvalue problem for the 3D lattice-structured systems. We consider the linearized Hartree-Fock equation over a spatial $L_1\times L_2\times L_3$ lattice for both periodic and non-periodic problem setting, discretized in the localized Gaussian-type orbitals basis. In the periodic case, the Galerkin system matrix obeys a three-level block-circulant structure that allows the FFT-based diagonalization, while for the finite extended systems in a box (Dirichlet boundary conditions) we arrive at the perturbed block-Toeplitz representation providing fast matrix-vector multiplication and low storage size. The proposed grid-based tensor techniques manifest the twofold benefits: (a) the entries of the Fock matrix are computed by 1D operations using low-rank tensors represented on a 3D grid, (b) in the periodic case the low-rank tensor structure in the diagonal blocks of the Fock matrix in the Fourier space reduces the conventional 3D FFT to the product of 1D FFTs. Lattice type systems in a box with Dirichlet boundary conditions are treated numerically by our previous tensor solver for single molecules, which makes possible calculations on rather large $L_1\times L_2\times L_3$ lattices due to reduced numerical cost for 3D problems. The numerical simulations for both box-type and periodic $L\times 1\times 1$ lattice chain in a 3D rectangular "tube" with $L$ up to several hundred confirm the theoretical complexity bounds for the block-structured eigenvalue solvers in the limit of large $L$.Comment: 30 pages, 12 figures. arXiv admin note: substantial text overlap with arXiv:1408.383