Journal of Physical Chemistry A, Vol.103, No.42, 8375-8383, 1999
Cubic optical response of molecules in a nonequilibrium and equilibrium solvation model
The cubic response equations governing nonequilibrium and equilibrium solvation in the continuum approach are derived and implemented. We consider solvent effects on the frequency dependent second hyperpolarizability. We illustrate the effects of optical and static dielectric constants through sample calculations on H2O and H2CO.