ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Diagrammatic valence-bond (DVB) methods yield exact dynamic nonlinear optical (NLO) coefficients for π-electron models of conjugated molecules and polymers. We contrast exact coefficients with mean-field or Hückel results and discuss several qualitative differences. The length and alternation dependencies of NLO spectra for Pariser-Parr-Pople (PPP) models provide a unified treatment of even-parity states and two-photon processes in polyenes, polydiacetylenes, and polysilanes. We emphasize relationships between one- and two-photon spectra, correlation effects involving both parallel and transverse NLO coefficients, and the nature of correlated states in polar conjugated molecules and in polymers with centrosymmetric backbones.
Additional Material:
6 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560430107
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