Very large electronic structure calculations using an out-of-core filter-diagonalization method
type: Item
instance of: scholarly article
title: Very large electronic structure calculations using an out-of-core filter-diagonalization method
zbMATH Open document ID: 0995.81549
author: Sivan Toledo
author: Eran Rabani
published in: Journal of Computational Physics
publication date: 2002-09-17T00:00:00Z
Mathematics Subject Classification ID: 81V70
Mathematics Subject Classification ID: 81-08
Mathematics Subject Classification ID: 81V45
Mathematics Subject Classification ID: 81V55
zbMATH DE Number: 1801863
zbMATH Keywords: one-electron pseudopotential-based methods
zbMATH Keywords: Householder QR orthogonalization method
describes a project that uses: SOLAR
describes a project that uses: mctoolbox
describes a project that uses: LAPACK
MaRDI profile type: Publication
OpenAlex ID: W2031350942
cites work: Q3331506
cites work: Q4003886
cites work: Locality of Reference in LU Decomposition with Partial Pivoting
cites work: Q4864704
cites work: Q5689624
cites work: Q4945536
DOI: 10.1006/JCPH.2002.7090
description: scientific article; zbMATH DE number 1801863