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Two-dimensional second order nonlinear optical spectra: landscape of second order nonlinear optics

Abstract

The landscape of second order nonlinear optical (2nd NLO) responses of a system can be depicted as two-dimensional second order nonlinear optical spectra in a range of external fields, and this is difficult to be realized in experiment for wide range of external fields. In the present work, an efficient method for application of sum-over-states model to simulate electronic two-dimensional NLO (2DNLO) spectra has been developed and techniques to analyze NLO response–structure correlation has been proposed. This 2DNLO method has been applied to simulate the 2DNLO of a series of typical electron push-pull chromophores under external fields up to 5.00 eV. The correlation between the NLO properties and structure has been disclosed and further strategy to enhance the NLO properties of push-pull chromophores is proposed.

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Publication details

The article was received on 30 Aug 2017, accepted on 12 Oct 2017 and first published on 12 Oct 2017


Article type: Paper
DOI: 10.1039/C7CP05910H
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
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    Two-dimensional second order nonlinear optical spectra: landscape of second order nonlinear optics

    J. Chen, M. Wang, X. Zhou, L. Yang, W. Li and W. Q. Tian, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP05910H

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