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Conference Paper: Chemical bonding and off-resonance nonlinear polarizabilities of conjugated organic molecules
Title | Chemical bonding and off-resonance nonlinear polarizabilities of conjugated organic molecules |
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Authors | |
Issue Date | 1994 |
Publisher | S 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? |
Abstract | We 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 Identifier | http://hdl.handle.net/10722/168797 |
ISSN | 2023 SCImago Journal Rankings: 0.152 |
DC Field | Value | Language |
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dc.contributor.author | Chen, Guanhua | en_US |
dc.contributor.author | Takahashi, Akira | en_US |
dc.contributor.author | Mukamel, Shaul | en_US |
dc.date.accessioned | 2012-10-08T03:34:20Z | - |
dc.date.available | 2012-10-08T03:34:20Z | - |
dc.date.issued | 1994 | en_US |
dc.identifier.citation | Proceedings Of Spie - The International Society For Optical Engineering, 1994, v. 2143, p. 143-152 | en_US |
dc.identifier.issn | 0277-786X | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/168797 | - |
dc.description.abstract | We 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.language | eng | en_US |
dc.publisher | S P I E - International Society for Optical Engineering. The Journal's web site is located at http://spie.org/x1848.xml | en_US |
dc.relation.ispartof | Proceedings of SPIE - The International Society for Optical Engineering | en_US |
dc.title | Chemical bonding and off-resonance nonlinear polarizabilities of conjugated organic molecules | en_US |
dc.type | Conference_Paper | en_US |
dc.identifier.email | Chen, Guanhua:ghc@yangtze.hku.hk | en_US |
dc.identifier.authority | Chen, Guanhua=rp00671 | en_US |
dc.description.nature | link_to_subscribed_fulltext | en_US |
dc.identifier.doi | 10.1117/12.173814 | - |
dc.identifier.scopus | eid_2-s2.0-0028752595 | en_US |
dc.identifier.volume | 2143 | en_US |
dc.identifier.spage | 143 | en_US |
dc.identifier.epage | 152 | en_US |
dc.publisher.place | United States | en_US |
dc.identifier.scopusauthorid | Chen, Guanhua=35253368600 | en_US |
dc.identifier.scopusauthorid | Takahashi, Akira=35416034300 | en_US |
dc.identifier.scopusauthorid | Mukamel, Shaul=35473361700 | en_US |
dc.identifier.issnl | 0277-786X | - |