000864105 001__ 864105
000864105 005__ 20221109161716.0
000864105 0247_ $$2doi$$a10.1137/19M1277813
000864105 0247_ $$2Handle$$a2128/25754
000864105 0247_ $$2WOS$$aWOS:000600650100021
000864105 037__ $$aFZJ-2019-04005
000864105 082__ $$a510
000864105 1001_ $$0P:(DE-HGF)0$$aSinger, Sanja$$b0
000864105 245__ $$aThe LAPW Method with Eigendecomposition Based on the Hari--Zimmermann Generalized Hyperbolic SVD
000864105 260__ $$aPhiladelphia, Pa.$$bSIAM$$c2020
000864105 3367_ $$2DRIVER$$aarticle
000864105 3367_ $$2DataCite$$aOutput Types/Journal article
000864105 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1601033550_15197
000864105 3367_ $$2BibTeX$$aARTICLE
000864105 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000864105 3367_ $$00$$2EndNote$$aJournal Article
000864105 520__ $$aIn this paper we propose an accurate, highly parallel algorithm for the generalized eigendecomposition of a matrix pair $(H, S)$, given in a factored form $(F^{\ast} J F, G^{\ast} G)$. Matrices $H$ and $S$ are generally complex and Hermitian, and $S$ is positive definite. These type of matrices emerge from the representation of the Hamiltonian of a quantum mechanical system in terms of an overcomplete set of basis functions. This expansion is part of a class of models within the broad field of Density Functional Theory, which is considered the golden standard in Condensed Matter Physics. The overall algorithm consists of four phases, the second and the fourth being optional, where the two last phases are computation of the generalized hyperbolic SVD of a complex matrix pair $(F,G)$, according to a given matrix $J$ defining the hyperbolic scalar product. If $J = I$, then these two phases compute the GSVD in parallel very accurately and efficiently.
000864105 536__ $$0G:(DE-HGF)POF3-511$$a511 - Computational Science and Mathematical Methods (POF3-511)$$cPOF3-511$$fPOF III$$x0
000864105 536__ $$0G:(DE-Juel1)PHD-NO-GRANT-20170405$$aPhD no Grant - Doktorand ohne besondere Förderung (PHD-NO-GRANT-20170405)$$cPHD-NO-GRANT-20170405$$x1
000864105 536__ $$0G:(DE-Juel1)SDLQM$$aSimulation and Data Laboratory Quantum Materials (SDLQM) (SDLQM)$$cSDLQM$$fSimulation and Data Laboratory Quantum Materials (SDLQM)$$x2
000864105 588__ $$aDataset connected to arXivarXiv
000864105 7001_ $$0P:(DE-Juel1)144723$$aDi Napoli, Edoardo$$b1$$eCorresponding author$$ufzj
000864105 7001_ $$0P:(DE-HGF)0$$aNovaković, Vedran$$b2
000864105 7001_ $$0P:(DE-Juel1)176648$$aČaklović, Gayatri$$b3$$ufzj
000864105 773__ $$0PERI:(DE-600)1468391-x$$a10.1137/19M1277813$$gVol. 42, no. 5, p. C265 - C293$$n5$$pC265–C293$$tSIAM journal on scientific computing$$v42$$x0196-5204$$y2020
000864105 8564_ $$uhttps://juser.fz-juelich.de/record/864105/files/1907.08560.pdf$$yOpenAccess
000864105 8564_ $$uhttps://juser.fz-juelich.de/record/864105/files/1907.08560.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000864105 909CO $$ooai:juser.fz-juelich.de:864105$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire
000864105 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)144723$$aForschungszentrum Jülich$$b1$$kFZJ
000864105 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)176648$$aForschungszentrum Jülich$$b3$$kFZJ
000864105 9131_ $$0G:(DE-HGF)POF3-511$$1G:(DE-HGF)POF3-510$$2G:(DE-HGF)POF3-500$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bKey Technologies$$lSupercomputing & Big Data$$vComputational Science and Mathematical Methods$$x0
000864105 9141_ $$y2020
000864105 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000864105 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search
000864105 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bSIAM J SCI COMPUT : 2017
000864105 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection
000864105 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index
000864105 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded
000864105 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5
000864105 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000864105 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC
000864105 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences
000864105 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline
000864105 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List
000864105 920__ $$lyes
000864105 9201_ $$0I:(DE-Juel1)JSC-20090406$$kJSC$$lJülich Supercomputing Center$$x0
000864105 980__ $$ajournal
000864105 980__ $$aVDB
000864105 980__ $$aUNRESTRICTED
000864105 980__ $$aI:(DE-Juel1)JSC-20090406
000864105 9801_ $$aFullTexts