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

Publication: Research - peer-reviewJournal article – Annual report year: 2011

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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
Publication date2011
Volume111
Journal number4
Pages904-913
ISSN0020-7608
DOIs
StatePublished
CitationsWeb of Science® Times Cited: 0

Keywords

  • Biopolymers, Solar energy
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