Title of article
Ab Initio nonlinear optical properties of polyacetylene from finite oligomer calculations
Author/Authors
Robins، نويسنده , , Ka-Hae Kim، نويسنده , , S-J. and Toto، نويسنده , , J.L. and Hasan، نويسنده , , M. and Toto، نويسنده , , T.T. and de Melo، نويسنده , , C.P. and Kirtman، نويسنده , , B.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 1995
Pages
4
From page
1671
To page
1674
Abstract
A comprehensive ab initio quantum chemistry study of the linear and nonlinear optical properties of polyacetylene has been initiated using the finite oligomer method. The various aspects taken into account include: (1) extrapolation of properties to the infinite chain limit; (2) electron correlation; (3) distortion due to the coupling of vibrations with field-induced electronic polarization; and (4) non-resonant frequency dispersion.
Journal title
Synthetic Metals
Serial Year
1995
Journal title
Synthetic Metals
Record number
2069514
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