Optimizing hyperpolarizability through the configuration space of energy spectrum and transition strength spanned by power law potentials

Sean M. Mossman; Mark G. Kuzyk

doi:10.1117/12.2024631

10 September 2013 Optimizing hyperpolarizability through the configuration space of energy spectrum and transition strength spanned by power law potentials

Sean M. Mossman, Mark G. Kuzyk

Author Affiliations +

Proceedings Volume 8827, Optical Processes in Organic Materials and Nanostructures II; 882703 (2013) https://doi.org/10.1117/12.2024631
Event: SPIE Organic Photonics + Electronics, 2013, San Diego, California, United States

Abstract

While sophisticated numerical computational techniques can calculate the hyperpolarizabilities of complex molecules, it is not clear what scale invariant parameters determine a large nonlinear response. We investigate the first and second intrinsic hyperpolarizabilities of one-dimensional power-law potentials with a hybrid analytical semiclassical analysis of energy spectra and numerical calculations of eigenfunctions. By varying the exponent, we determine how key underlying properties drive the nonlinear response as the system smoothly varies from particle in a box, harmonic oscillator, point charge potential, to all multipolar Coulomb potentials. The role of the well-known pathology of the 1/x² potential is also discussed.

Citation Download Citation

Sean M. Mossman and Mark G. Kuzyk "Optimizing hyperpolarizability through the configuration space of energy spectrum and transition strength spanned by power law potentials", Proc. SPIE 8827, Optical Processes in Organic Materials and Nanostructures II, 882703 (10 September 2013); https://doi.org/10.1117/12.2024631

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