Numerical investigation of photoexcited polaron states in water

Volokhova A.V., Zemlyanay E.V., Lakhno V.D., Amirkhanov I.V., Puzynin I.V., Puzynina T.P.
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A method and a complex of computer programs are developed for the numerical simulation of the polaron states excitation process in condensed media. A numerical study of the polaron states formation in water under the action of the ultraviolet range laser irradiation is carried out. Our approach allows to reproduce the experimental data of the hydrated electrons formation. A numerical scheme is presented for the solution of the respective system of nonlinear partial differential equations. Parallel implementation is based on the MPI technique. The numerical results are given in comparison with the experimental data and theoretical estimations.

Keywords: polaron state, hydrated (solvated) electron, finite difference approximation, parallel implementation
Citation in English: Volokhova A.V., Zemlyanay E.V., Lakhno V.D., Amirkhanov I.V., Puzynin I.V., Puzynina T.P. Numerical investigation of photoexcited polaron states in water // Computer Research and Modeling, 2014, vol. 6, no. 2, pp. 253-261
Citation in English: Volokhova A.V., Zemlyanay E.V., Lakhno V.D., Amirkhanov I.V., Puzynin I.V., Puzynina T.P. Numerical investigation of photoexcited polaron states in water // Computer Research and Modeling, 2014, vol. 6, no. 2, pp. 253-261
DOI: 10.20537/2076-7633-2014-6-2-253-261
URL: http://crm-en.ics.org.ru/journal/article/2142/
Creative Commons License This work is licensed under a Creative Commons Attribution-NoDerivs 3.0 Unported License.
Citations: 1 (RSCI).

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