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Schnelle Löser für Partielle Differentialgleichungen
The workshop Schnelle Löser für partielle Differentialgleichungen, organised by Randolph E. Bank (La Jolla), Wolfgang Hackbusch (Leipzig), and Gabriel Wittum (Frankfurt am Main), was held May 22nd–May 28th, 2011. This meeting was well attended by 54 participants with broad geographic representation from 7 countries and 3 continents. This workshop was a nice blend of researchers with various backgrounds
Computing the density of states for optical spectra by low-rank and QTT tensor approximation
In this paper, we introduce a new interpolation scheme to approximate the
density of states (DOS) for a class of rank-structured matrices with
application to the Tamm-Dancoff approximation (TDA) of the Bethe-Salpeter
equation (BSE). The presented approach for approximating the DOS is based on
two main techniques. First, we propose an economical method for calculating the
traces of parametric matrix resolvents at interpolation points by taking
advantage of the block-diagonal plus low-rank matrix structure described in [6,
3] for the BSE/TDA problem. Second, we show that a regularized or smoothed DOS
discretized on a fine grid of size can be accurately represented by a low
rank quantized tensor train (QTT) tensor that can be determined through a least
squares fitting procedure. The latter provides good approximation properties
for strictly oscillating DOS functions with multiple gaps, and requires
asymptotically much fewer () functional calls compared with the full
grid size . This approach allows us to overcome the computational
difficulties of the traditional schemes by avoiding both the need of stochastic
sampling and interpolation by problem independent functions like polynomials
etc. Numerical tests indicate that the QTT approach yields accurate recovery of
DOS associated with problems that contain relatively large spectral gaps. The
QTT tensor rank only weakly depends on the size of a molecular system which
paves the way for treating large-scale spectral problems.Comment: 26 pages, 25 figure
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