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Targeting specific eigenvectors and eigenvalues of a given Hamiltonian using arbitrary selection criteria

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dc.contributor.authorTackett, A. R.en
dc.contributor.authorDi Ventra, M.en
dc.contributor.departmentPhysicsen
dc.date.accessed2014-04-23en
dc.date.accessioned2014-05-07T15:37:07Zen
dc.date.available2014-05-07T15:37:07Zen
dc.date.issued2002-12en
dc.description.abstractWe present a method for calculating some select eigenvalues and corresponding eigenvectors of a given Hamiltonian. We show that it is possible to target the eigenvalues and eigenvectors of interest without diagonalizing the full Hamiltonian, by using any arbitrary physical property of the eigenvectors. This allows us to target, for example, the eigenvectors based on their localization properties (e.g., states localized at a given surface or interface). We also show that the method scales linearly with system size.en
dc.description.sponsorshipNational Science Foundation Grants Nos. DMR-01-02277, DMR-01-33075en
dc.description.sponsorshipCarilion Biomedical Instituteen
dc.description.sponsorshipOak Ridge Associated Universitiesen
dc.description.sponsorshipAcknowledgment is also made to the Donors of The Petroleum Research Fund, administered by the American Chemical Societyen
dc.identifier.citationTackett, A. R.; Di Ventra, M., "Targeting specific eigenvectors and eigenvalues of a given Hamiltonian using arbitrary selection criteria," Phys. Rev. B 66, 245104 DOI: http://dx.doi.org/10.1103/PhysRevB.66.245104en
dc.identifier.doihttps://doi.org/10.1103/PhysRevB.66.245104en
dc.identifier.issn1098-0121en
dc.identifier.urihttp://hdl.handle.net/10919/47894en
dc.identifier.urlhttp://journals.aps.org/prb/abstract/10.1103/PhysRevB.66.245104en
dc.language.isoen_USen
dc.publisherAmerican Physical Societyen
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subjectquantum dotsen
dc.subjectlarge matricesen
dc.subjectpseudopotentialsen
dc.subjectalgorithmsen
dc.subjectiterationen
dc.subjectlowesten
dc.subjectenergyen
dc.subjectphysics, condensed matteren
dc.titleTargeting specific eigenvectors and eigenvalues of a given Hamiltonian using arbitrary selection criteriaen
dc.title.serialPhysical Review Ben
dc.typeArticle - Refereeden

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