The Iterative Self-Consistent Reaction-Field Method: The Refractive Index of Pure Water
نویسندگان
چکیده
We present different microscopic models for describing electromagnetic properties of condensed phases and the models involve iterative self-consistent procedures for calculating the properties. We report calculations of the frequency-dependent refractive index of pure water. We investigate the importance of the first solvation shell and nonequilibrium solvent configurations, and present a procedure for estimating appropriate cavity sizes. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem 111: 904–913, 2011
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