TY - JOUR
T1 - Static and dynamic third-harmonic generation in long polyacetylene and polyparaphenylene vinylene chains
AU - Shuai, Z.
AU - Brédas, J. L.
PY - 1991
Y1 - 1991
N2 - We have calculated the full spectrum of the third-order optical susceptibility (3)-3;,) in long oligomers of polyacetylene and polyparaphenylene vinylene, in the framework of a simple one-electron tight-binding approach. All doubly excited states are explicitly included in a sum-over-states formulation. The damping factors associated with resonances with excited states are modulated as a function of excited-state energy. Both the length dependence and the dynamic behavior of (3)-3;,) are found to be in excellent agreement with experiment. Our results thus show that, contrary to the situation in very short polyenes, a one-electron theory can provide an accurate description of the nonlinear optical response in conjugated polymers.
AB - We have calculated the full spectrum of the third-order optical susceptibility (3)-3;,) in long oligomers of polyacetylene and polyparaphenylene vinylene, in the framework of a simple one-electron tight-binding approach. All doubly excited states are explicitly included in a sum-over-states formulation. The damping factors associated with resonances with excited states are modulated as a function of excited-state energy. Both the length dependence and the dynamic behavior of (3)-3;,) are found to be in excellent agreement with experiment. Our results thus show that, contrary to the situation in very short polyenes, a one-electron theory can provide an accurate description of the nonlinear optical response in conjugated polymers.
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U2 - 10.1103/PhysRevB.44.5962
DO - 10.1103/PhysRevB.44.5962
M3 - Article
AN - SCOPUS:0000445625
VL - 44
SP - 5962
EP - 5965
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 0163-1829
IS - 11
ER -