Comparison of hyperpolarizabilities obtained with different experimental methods and theoretical techniques

Abstract

Second- and third-order hyperpolarizabilities that are obtained with various experimental and theoretical techniques are compared. This comparison requires care in the conventions used in defining the various parameters that enter the data analysis. Experimental values of γ are obtained for p-dioxane, n-hexane, acetone, CHCl3, CCl4, and benzene with both third-harmonic generation and electric-field-induced second-harmonic generation techniques. In addition, values of γ and β for 2-methyl, 4-nitroaniline in p-dioxane and CHCl3 are reported. These experimental results are compared with values of γ and β obtained from a finite-field semiempirical calculation.