Numerical investigation of photoexcited polaron states in water

A method and a complex of computer programs are developed for the numerical simulation ofthe polaron states excitation process in condensed media. A numerical study of the polaron states formation inwater under the action of the ultraviolet range laser irradiation is carried out. Our approach allows to reproducethe experimental data of the hydrated electrons formation. A numerical scheme is presented for the solution ofthe respective system of nonlinear partial differential equations. Parallel implementation is based on the MPItechnique. The numerical results are given in comparison with the experimental data and theoretical estimations.