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Title: Numerical simulation of photoexcited polaron states in water

We consider the dynamic polaron model of the hydrated electron state on the basis of a system of three nonlinear partial differential equations with appropriate initial and boundary conditions. A parallel numerical algorithm for the numerical solution of this system has been developed. Its effectiveness has been tested on a few multi-processor systems. A numerical simulation of the polaron states formation in water under the action of the ultraviolet range laser irradiation has been performed. The numerical results are shown to be in a reasonable agreement with experimental data and theoretical predictions.
Authors:
; ; ; ; ;  [1] ;  [2] ;  [3]
  1. Laboratory of Information Technologies, Joint Institute for Nuclear Research, Dubna 141980 (Russian Federation)
  2. Institute of Mathematical Problems of Biology, Russian Academy of Science, Pushchino 142290 (Russian Federation)
  3. Faculty of Mathematics and Informatics, Paisii Hilendarski University of Plovdiv 4003 (Bulgaria)
Publication Date:
OSTI Identifier:
22492621
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1684; Journal Issue: 1; Conference: AMiTaNS'15: 7. international conference for promoting the application of mathematics in technical and natural sciences, Albena (Bulgaria), 28 Jun - 3 Jul 2015; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ALGORITHMS; BOUNDARY CONDITIONS; COMPUTERIZED SIMULATION; FORECASTING; HYDRATION; LASER RADIATION; NONLINEAR PROBLEMS; NUMERICAL SOLUTION; PARTIAL DIFFERENTIAL EQUATIONS; SOLVATED ELECTRONS; ULTRAVIOLET RADIATION; WATER