THEORETICAL CALCULATIONS OF MEAN POLARIZABILITY DERIVATIVES WITH RESPECT TO INTERNAL SYMMETRY COORDINATE
Hiroyuki Shinoda, Tomoo Miyazaki · Chemistry Letters · 1973
Abstract The CNDO/2 calculation has been applied to the mean polarizability derivatives, (Remark: Graphics omitted.) and (Remark: Graphics omitted.), where α is the mean polarizability and Sj an appropriate symmetry coordinate. The calculated (α′)’s were proportional to the observed values. The α″⁄α′ ratio increased with the energy-increase of the incident light.