The iterative self-consistent reaction-field method: The refractive index of pure water

Kristian O. Sylvester-Hvid, K. V. Mikkelsen, M.A. Ratner

    Research output: Contribution to journalJournal articleResearchpeer-review


    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, 2011
    Original languageEnglish
    JournalInternational Journal of Quantum Chemistry
    Issue number4
    Pages (from-to)904-913
    Publication statusPublished - 2011


    • Biopolymers
    • Solar energy

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