15 May 1994 Chemical bonding and off-resonance nonlinear polarizabilities of conjugated organic molecules
Author Affiliations +
Abstract
We employ the Pariser-Parr-Pople (PPP) Hamiltonian to calculate the three lowest polarizabilities ((alpha) , (beta) and (gamma) ) of Octatetraene. By applying a strong static electric field, the molecule undergoes a significant structural change, which affects the optical polarizabilities. We find that these polarizabilities can be described using a small number of charge fluctuation modes. We further relate the magnitude and sign of these polarizabilities with some coarse features of the ground state reduced single electron density matrix, which in turn is directly related to the chemical bonding.
© (1994) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Guanhua Chen, Akira Takahashi, and Shaul Mukamel "Chemical bonding and off-resonance nonlinear polarizabilities of conjugated organic molecules", Proc. SPIE 2143, Organic, Metallo-Organic, and Polymeric Materials for Nonlinear Optical Applications, (15 May 1994); doi: 10.1117/12.173814; https://doi.org/10.1117/12.173814
PROCEEDINGS
10 PAGES


SHARE
Advertisement
Advertisement
Back to Top