Journal article
The iterative self-consistent reaction-field method: The refractive index of pure water
In
International Journal of Quantum Chemistry
—
2011, Volume 111, Issue 4, pp. 904-913
Abstract
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
| Language: | English |
|---|---|
| Publisher: | Wiley Subscription Services, Inc., A Wiley Company |
| Year: | 2011 |
| Pages: | 904-913 |
| ISSN: | 1097461x , 00207608 , 03968832 and 01613642 |
| Types: | Journal article |
| DOI: | 10.1002/qua.22897 |
| ORCIDs: | 0000-0003-4090-7697 |
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