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Conference Paper: Chemical bonding and off-resonance nonlinear polarizabilities of conjugated organic molecules

TitleChemical bonding and off-resonance nonlinear polarizabilities of conjugated organic molecules
Authors
Issue Date1994
PublisherS P I E - International Society for Optical Engineering. The Journal's web site is located at http://spie.org/x1848.xml
Citation
Proceedings Of Spie - The International Society For Optical Engineering, 1994, v. 2143, p. 143-152 How to Cite?
AbstractWe employ the Pariser-Parr-Pople (PPP) Hamiltonian to calculate the three lowest polarizabilities (α, β and γ) of Octatetraene. By applying a strong static electric field, the molecule undergoes a significant structural change, which affects the optical polarizabilities. We find that these polarizabilities can be described using a small number of charge fluctuation modes. We further relate the magnitude and sign of these polarizabilities with some coarse features of the ground state reduced single electron density matrix, which in turn is directly related to the chemical bonding.
Persistent Identifierhttp://hdl.handle.net/10722/168797
ISSN

 

DC FieldValueLanguage
dc.contributor.authorChen, Guanhuaen_US
dc.contributor.authorTakahashi, Akiraen_US
dc.contributor.authorMukamel, Shaulen_US
dc.date.accessioned2012-10-08T03:34:20Z-
dc.date.available2012-10-08T03:34:20Z-
dc.date.issued1994en_US
dc.identifier.citationProceedings Of Spie - The International Society For Optical Engineering, 1994, v. 2143, p. 143-152en_US
dc.identifier.issn0277-786Xen_US
dc.identifier.urihttp://hdl.handle.net/10722/168797-
dc.description.abstractWe employ the Pariser-Parr-Pople (PPP) Hamiltonian to calculate the three lowest polarizabilities (α, β and γ) of Octatetraene. By applying a strong static electric field, the molecule undergoes a significant structural change, which affects the optical polarizabilities. We find that these polarizabilities can be described using a small number of charge fluctuation modes. We further relate the magnitude and sign of these polarizabilities with some coarse features of the ground state reduced single electron density matrix, which in turn is directly related to the chemical bonding.en_US
dc.languageengen_US
dc.publisherS P I E - International Society for Optical Engineering. The Journal's web site is located at http://spie.org/x1848.xmlen_US
dc.relation.ispartofProceedings of SPIE - The International Society for Optical Engineeringen_US
dc.titleChemical bonding and off-resonance nonlinear polarizabilities of conjugated organic moleculesen_US
dc.typeConference_Paperen_US
dc.identifier.emailChen, Guanhua:ghc@yangtze.hku.hken_US
dc.identifier.authorityChen, Guanhua=rp00671en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.scopuseid_2-s2.0-0028752595en_US
dc.identifier.volume2143en_US
dc.identifier.spage143en_US
dc.identifier.epage152en_US
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridChen, Guanhua=35253368600en_US
dc.identifier.scopusauthoridTakahashi, Akira=35416034300en_US
dc.identifier.scopusauthoridMukamel, Shaul=35473361700en_US

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