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Linear and nonlinear polarizabilities of polydiacetylene and polybutatriene chains: An ab initio...

Authors :
Perpete, Eric A.
Champagne, Benoit
Kirtman, Bernard
Source :
Journal of Chemical Physics; 8/15/1997, Vol. 107 Issue 7, p2463, 18p, 16 Diagrams, 13 Charts, 4 Graphs
Publication Year :
1997

Abstract

Studies the linear and nonlinear polarizabilities of polydiacetylene and polybutatriene chains. Extrapolation of the polarizabilities to the infinite polymer limit; Electronic and vibrational components obtained; Sensitivity of the components to the difference in bond length alternation in different ways.

Details

Language :
English
ISSN :
00219606
Volume :
107
Issue :
7
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4321449
Full Text :
https://doi.org/10.1063/1.474588