Nonlinear optical response of molecule in inhomogeneous solvation environment: A response theory formalism

摘要

We present a method for determining quadratic response molecular propertie sof heterogeneously solvated molecules. The mehod enables the calculation of frequency-dependent hyperpolarizabilities and two-photon transition matrix elements of molecules that are (i) located at the surface of a metal or (ii) solvated alongside the surface of a metal.