Fast spectral projection algorithms for density-matrix computations

DOI10.1006/JCPH.1999.6215zbMath0945.65049OpenAlexW2009747790MaRDI QIDQ1306101

Martin J. Mohlenkamp, Gregory Beylkin, Nicholas Coult

Publication date: 5 October 2000

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://semanticscholar.org/paper/431945893d0ebdc586597f2af7cdfefc33a01482

zbMATH Keywords

waveletsnumerical examplesign functiondensity-matrix computationsfast spectral projection algorithmsinteracting system of electronsKohn-Sham schemelocal cosine function

Mathematics Subject Classification ID

Numerical methods for wavelets (65T60) Electromagnetic interaction; quantum electrodynamics (81V10)

Related Items (10)

Implicit purification for temperature-dependent density matrices ⋮ Numerical operator calculus in higher dimensions ⋮ The electron density function of the Hückel (tight-binding) model ⋮ Fast Computation of Spectral Projectors of Banded Matrices ⋮ Approximate iterations for structured matrices ⋮ The EPS method: A new method for constructing pseudospectral derivative operators ⋮ Fast algorithms for spectral collocation with non-periodic boundary conditions ⋮ Wave propagation using bases for bandlimited functions ⋮ Wavelets for density matrix computation in electronic structure calculation ⋮ Low-Rank Updates of Matrix Functions II: Rational Krylov Methods

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