Numerical Simulation of the Formation of Hydrated Electron States

Abstract

Numerical simulation of the photoexcited electron states formation in water under the action of the ultraviolet range laser irradiation is carried out on the basis of the polaron model with a time-dependent calculation of the hydrated electron absorption band width. This framework is shown to reproduce well the experimental data on the light absorption by the hydrated electron in polarized water. Effectiveness of parallel implementation is tested on the HybriLIT cluster.