Drawing information from the ground state G-particle-hole matrix to study electronic excited states

dc.creatorAlcoba, Diego Ricardo
dc.creatorOña, Ofelia Beatriz
dc.creatorValdemoro, C.
dc.creatorTel, L. C.
dc.creatorMassaccesi, Gustavo E.
dc.date2012-06-22
dc.date2022-04-21T18:49:40Z
dc.date.accessioned2023-07-15T04:42:34Z
dc.date.available2023-07-15T04:42:34Z
dc.identifierhttp://sedici.unlp.edu.ar/handle/10915/134804
dc.identifierissn:0259-9791
dc.identifierissn:1572-8897
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/7470586
dc.descriptionVery recently, we have shown the suitability to combine the G-particle-hole Hypervirial (GHV) equation method (Alcoba et al. in Int J Quantum Chem 109:3178, 2009) with the Hermitian Operator (HO) method (Bouten et al. in Nucl Phys A 202:127, 1973) for computing various energy differences of an electronic system spectrum (Valdemoro et al. in J Math Chem 50:492, 2012). The purpose of this paper is to extend our preliminary studies by applying the combined GHV-HO method to obtain the set of ground and low-lying excited states potential energy curves of several selected electronic systems. The calculations confirm the reliability of the method.
dc.descriptionInstituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
dc.formatapplication/pdf
dc.format2478-2491
dc.languageen
dc.rightshttp://creativecommons.org/licenses/by/4.0/
dc.rightsCreative Commons Attribution 4.0 International (CC BY 4.0)
dc.subjectFísica
dc.subjectCiencias Exactas
dc.subjectG-particle-hole matrix
dc.subjectReduced density matrix
dc.subjectExcited states
dc.subjectElectronic correlation effects
dc.subjectHypervirial
dc.subjectHermitian operator method
dc.titleDrawing information from the ground state G-particle-hole matrix to study electronic excited states
dc.typeArticulo
dc.typeArticulo


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