Chemical Physics Letters, Vol.365, No.1-2, 170-175, 2002
First hyperpolarizability of the molecular excited states: Calculations for p-nitroaniline and comparison with experiments
We calculated the first hyperpolarizability of the molecules with some fraction of both ground and excited state populations. We used a numerical procedure employed widely known software. The comparison with experimental data for para-nitroaniline molecule obtained by the Hyper-Rayleigh technique is done. (C) 2002 Published by Elsevier Science B.V.