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Assessment of Theoretical Approaches to the Evaluation of Dipole Moments of Chromophores for Nonlinear Optics
Author(s) -
Prezhdo O.V.
Publication year - 2002
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/1521-4095(20020418)14:8<597::aid-adma597>3.0.co;2-k
Subject(s) - chromophore , dipole , nonlinear optics , materials science , conjugated system , nonlinear optical , acceptor , nonlinear system , electron acceptor , molecular physics , optics , photochemistry , physics , chemistry , quantum mechanics , polymer , composite material
The calculation of dipole moments of nonlinear optical (NLO) chromophores can be carried out with a variety of theoretical approaches. A systematic study of the available calculation methods is presented. The study focuses on a series of NLO chromophores with varying electron‐donor and electron‐acceptor fragments and differing length of the π‐conjugated system (see Figure for an example of the chromophores studied).