Polarizability of molecular chains: does one need exact exchange?

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dc.creatorPemmaraju, C. D.
dc.creatorSanvito, S.
dc.creatorBurke, K.
dc.date2007-08-21
dc.date.accessioned2026-07-07T08:24:44Z
dc.date.available2026-07-07T08:24:44Z
dc.descriptionStandard density functional approximations greatly over-estimate the static polarizability of longchain polymers, but Hartree-Fock or exact exchange calculations do not. Simple self-interaction corrected (SIC) approximations can be even better than exact exchange, while their computational cost can scale only linearly with the number of occupied orbitals.
dc.description4 pages, 3 figures
dc.identifierhttps://arxiv.org/abs/0708.2814
dc.identifierhttp://arxiv.org/abs/0708.2814
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/136438
dc.subjectAtomic and Molecular Clusters
dc.subjectMaterials Science
dc.subjectComputational Physics
dc.titlePolarizability of molecular chains: does one need exact exchange?
dc.typetext

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