Nonlinear Optics

The major area of my current research is the calculation of nonlinear optical properties for organic molecules and polymers. This is a very important area of research for understanding and developing applications for optical computing and better communications. The goals of this Air Force-funded research are to understand the relationships between molecular and electronic structure and nonlinear optical properties and to develop fast, efficient, computational procedures for obtaining accurate estimates of these properties.

Representative Publications:

• "Calculations of the Nonlinear Optical Properties of Molecules", H. A. Kurtz, J. J. P. Stewart, and K. M. Dieter, J. Comp. Chem., 11, 82 (1990).
• "Semiempirical Calculation of the Hyperpolarizabilities of Polyenes", H. A. Kurtz, Intern. J. Quantum Chem. Sym., 24, 791 (1990).
• "Intermolecular Effects on Third-Order Nonlinear Optical Properties", D. S. Dudis, A. T. Yeates, and H. A. Kurtz, Mat. Res. Soc. Symp. Proc., 247, 93 (1992).
• "Calculation of Vibrational Dynamic Hyperpolarizabilities for H₂O, CO₂, and NH₃." ,D. M. Bishop, B. Kirtman, H. A. Kurtz, and J. E. Rice, J. Chem. Phys., 98, 8024 (1993).
• "Frequency Dependent Hyperpolarizabilities of Polyenes", P. Korambath and H. A. Kurtz, in Theoretical and Computational Modeling of NLO and Electronic Materials, ed. S. Karna, ACS Books, 1995.

Last Modified: Oct. 30, 1995