| Vibronic coupling simulations for linear and nonlinear optical processes: Theory. | |
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MedLine Citation:
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PMID: 22360173 Owner: NLM Status: In-Data-Review |
Abstract/OtherAbstract:
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A comprehensive vibronic coupling model based on the time-dependent wavepacket approach is derived to simulate linear optical processes, such as one-photon absorbance and resonance Raman scattering, and nonlinear optical processes, such as two-photon absorbance and resonance hyper-Raman scattering. This approach is particularly well suited for combination with first-principles calculations. Expressions for the Franck-Condon terms, and non-Condon effects via the Herzberg-Teller coupling approach in the independent-mode displaced harmonic oscillator model are presented. The significance of each contribution to the different spectral types is discussed briefly. |
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Authors:
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Daniel W Silverstein; Lasse Jensen |
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Publication Detail:
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Type: Journal Article |
Journal Detail:
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Title: The Journal of chemical physics Volume: 136 ISSN: 1089-7690 ISO Abbreviation: J Chem Phys Publication Date: 2012 Feb |
Date Detail:
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Created Date: 2012-02-24 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0375360 Medline TA: J Chem Phys Country: United States |
Other Details:
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Languages: eng Pagination: 064111 Citation Subset: IM |
Affiliation:
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Department of Chemistry, The Pennsylvania State University, 104 Chemistry Building, University Park, Pennsylvania 16802, USA. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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