DUGiDocsOn the Contribution of Mixed Terms in Response Function Treatment of Vibrational Nonlinear Optical Properties
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dc.date.accessioned
2019-05-07T08:23:22Z
dc.date.available
2019-05-07T08:23:22Z
dc.date.issued
2011-03-15
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0020-7608
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dc.description.abstract
A new response theory formulation for calculating second-order vibrational nonlinear optical properties has recently been presented by Hansen, et al. J. Chem. Phys. 2009, 131, 154101. For so-called mixed terms this method contains a correction to account for an approximation made in the classic Bishop and Kirtman, J. Chem. Phys. 1991, 15, 2646 perturbation treatment. This correction vanishes in the static limit and is here shown to vanish also in the high frequency limit. The response theory formulation is extended to third-order properties and, in that case, vanishes in both limits as well
dc.description.sponsorship
Financial help has been furnished by the Spanish MEC Project No. CTQ2008-06696/BQU and by the catalan Departament d’Universitats, Recerca i Societat de la Informació (DURSI) through project No. 2009SGR637
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9 p.
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application/pdf
dc.language.iso
eng
dc.publisher
Wiley
dc.relation
info:eu-repo/grantAgreement/MICINN//CTQ2008-06696/ES/MODELIZACION QUIMICO-CUANTICA MEJORADA DE PROCESOS EN EL ESTADO EXCITADO: EFECTOS DE ENTORNO Y SUPERFICIES PARA EL CONTROL COHERENTE/
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Versió postprint del document publicat a: https://doi.org/10.1002/qua.22880
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© International Journal of Quantum Chemistry, 2011, vol. 111, núm. 4, p. 839-847
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Articles publicats (D-Q)
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Tots els drets reservats
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Kirtman, Bernard Luis Luis, Josep Maria 2011 On the Contribution of Mixed Terms in Response Function Treatment of Vibrational Nonlinear Optical Properties International Journal of Quantum Chemistry 111 4 839 847
dc.title
On the Contribution of Mixed Terms in Response Function Treatment of Vibrational Nonlinear Optical Properties
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info:eu-repo/semantics/article
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info:eu-repo/semantics/openAccess
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info:eu-repo/semantics/acceptedVersion
dc.identifier.doi
dc.identifier.idgrec
013286
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dc.type.peerreviewed
peer-reviewed
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dc.identifier.eissn
1097-461X