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Nonlinear susceptibilities of finite conjugated organic polymers

Publication ,  Journal Article
Beratan, DN; Onuchic, JN; Perry, JW
Published in: Journal of Physical Chemistry
January 1, 1987

Tight-binding calculations of the length dependence of the third-order molecular hyperpolarizability for polyenes and polyynes are reported. The π-electron wave functions were determined by exploiting the limited translational symmetry of the molecules. Perturbation theory was used to calculate the longitudinal component of the electronic nonresonant hyperpolarizability. To our knowledge, this is the first two-"band" calculation of third-order hyperpolarizabilities on finite π-electron systems of varying length. In contrast to the results of the one-"band" models, the hyperpolarizability densities increase rapidly and then, after about 10-15 repeating units, approach an asymptotic value. © 1987 American Chemical Society.

Duke Scholars

Published In

Journal of Physical Chemistry

DOI

ISSN

0022-3654

Publication Date

January 1, 1987

Volume

91

Issue

11

Start / End Page

2696 / 2698
 

Citation

APA
Chicago
ICMJE
MLA
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Beratan, D. N., Onuchic, J. N., & Perry, J. W. (1987). Nonlinear susceptibilities of finite conjugated organic polymers. Journal of Physical Chemistry, 91(11), 2696–2698. https://doi.org/10.1021/j100295a009
Beratan, D. N., J. N. Onuchic, and J. W. Perry. “Nonlinear susceptibilities of finite conjugated organic polymers.” Journal of Physical Chemistry 91, no. 11 (January 1, 1987): 2696–98. https://doi.org/10.1021/j100295a009.
Beratan DN, Onuchic JN, Perry JW. Nonlinear susceptibilities of finite conjugated organic polymers. Journal of Physical Chemistry. 1987 Jan 1;91(11):2696–8.
Beratan, D. N., et al. “Nonlinear susceptibilities of finite conjugated organic polymers.” Journal of Physical Chemistry, vol. 91, no. 11, Jan. 1987, pp. 2696–98. Scopus, doi:10.1021/j100295a009.
Beratan DN, Onuchic JN, Perry JW. Nonlinear susceptibilities of finite conjugated organic polymers. Journal of Physical Chemistry. 1987 Jan 1;91(11):2696–2698.

Published In

Journal of Physical Chemistry

DOI

ISSN

0022-3654

Publication Date

January 1, 1987

Volume

91

Issue

11

Start / End Page

2696 / 2698