Proceedings Paper
Theoretical analysis of the origin of the second-order nonlinear optical properties of octupolar molecules: the case of triamino-trinitrobenzene| Format | Member Price | Non-Member Price |
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Paper Abstract
The off-resonant (pi) -electronic component of the (beta) tensor, (beta) (pi ), is calculated and analyzed for an octupolar molecule with D3h point group symmetry, 1,3,5-triamino- 2,4,6-trinitrobenzene (TATB), and the related dipolar molecule with C2v point group symmetry, para-nitroaniline (pNA). The (beta) (pi )'s for TATB and pNA are calculated using the semi-empirical INDO/S Hamiltonian combined with single- and double-excitation configuration interaction of singlet (pi) -electron configurations, and Orr and Ward's sum- over-states expression for (beta) .
Paper Details
Date Published: 16 December 1993
PDF: 12 pages
Proc. SPIE 2025, Nonlinear Optical Properties of Organic Materials VI, (16 December 1993); doi: 10.1117/12.165242
Published in SPIE Proceedings Vol. 2025:
Nonlinear Optical Properties of Organic Materials VI
Gustaaf R. Moehlmann, Editor(s)
PDF: 12 pages
Proc. SPIE 2025, Nonlinear Optical Properties of Organic Materials VI, (16 December 1993); doi: 10.1117/12.165242
Show Author Affiliations
Brian M. Pierce, Hughes Aircraft Co. (United States)
Joseph Zyss, Ctr. National d'Etudes des Telecommunications (France)
Joseph Zyss, Ctr. National d'Etudes des Telecommunications (France)
Manuel Joffre, ENSTA-Ecole Polytechnique (France)
Published in SPIE Proceedings Vol. 2025:
Nonlinear Optical Properties of Organic Materials VI
Gustaaf R. Moehlmann, Editor(s)
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