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 ,
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.
