Comparison of several expansions in the calculation of static electric dipole π polarizability of conjugated molecules by pertubation theory. The ground and the first excited singlet states

dc.creatorMatzke, P.
dc.creatorChacon, O.
dc.creatorSanhueza, E.
dc.creatorTrsic, M.
dc.date.accessioned2018-12-20T14:17:32Z
dc.date.available2018-12-20T14:17:32Z
dc.date.created2018-12-20T14:17:32Z
dc.date.issued1972
dc.identifierInternational Journal of Quantum Chemistry, Volumen 6, Issue 3, 2018, Pages 407-412
dc.identifier1097461X
dc.identifier00207608
dc.identifier10.1002/qua.560060303
dc.identifierhttps://repositorio.uchile.cl/handle/2250/155534
dc.description.abstractGround and excited singlet state dipole electric π polarizabilities of a set of conjugated molecules are calculated. Second order perturbation theory is used in the Epstein–Nesbet and Möller–Plesset versions. Hückel and SCF‐LCAO‐MO are used alternatively as a basis. The Möller–Plesset–SCF–LCAO–MO calculation appears well related to experimental values. Copyright © 1972 John Wiley & Sons, Inc.
dc.languageen
dc.rightshttp://creativecommons.org/licenses/by-nc-nd/3.0/cl/
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Chile
dc.sourceInternational Journal of Quantum Chemistry
dc.subjectAtomic and Molecular Physics, and Optics
dc.subjectCondensed Matter Physics
dc.subjectPhysical and Theoretical Chemistry
dc.titleComparison of several expansions in the calculation of static electric dipole π polarizability of conjugated molecules by pertubation theory. The ground and the first excited singlet states
dc.typeArtículo de revista


Este ítem pertenece a la siguiente institución