Classical Density Functional Theory of Ionic Solutions

Jan Forsman, Clifford Woodward, Ryan Szparaga

Research output: Chapter in Book/Report/Conference proceedingBook chapterResearchpeer-review

Abstract

The basic structure of classical density functional theory (DFT) is reviewed from a rather general perspective. The treatment is then specialized to ionic solutions, describing the various possible extensions beyond the Poisson–Boltzmann level, that DFT offers, such as excluded volume effects, non-electrostatic interactions, connectivity (polymers) and ion correlations. The last effects are discussed rather thoroughly, with several explicit illustrations.
Original languageEnglish
Title of host publicationComputational Electrostatics for Biological Applications.
PublisherSpringer
Pages17-38
ISBN (Electronic)978-3-319-12211-3
ISBN (Print)978-3-319-12210-6
DOIs
Publication statusPublished - 2015 Jan 1

Subject classification (UKÄ)

  • Theoretical Chemistry

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