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Ab initio static polarizability and first hyperpolarizability of model polymethine chains. II....

Authors :
Jacquemin, Denis
Champagne, Benoit
Source :
Journal of Chemical Physics; 10/1/1997, Vol. 107 Issue 13, p5076, 12p, 6 Charts, 7 Graphs
Publication Year :
1997

Abstract

Focuses on an ab initio coupled Hartree-Fock study carried out on polymethineimine (PMI) oligomers with an increasing number of unit cells. Effect of conformational differences; End-capping by a strong donor-accepted pair; Static electronic longitudinal polarizability; Computation of first hyperpolarizability.

Details

Language :
English
ISSN :
00219606
Volume :
107
Issue :
13
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
4247339
Full Text :
https://doi.org/10.1063/1.474892