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 language | English |
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Title of host publication | Computational Electrostatics for Biological Applications. |
Publisher | Springer |
Pages | 17-38 |
ISBN (Electronic) | 978-3-319-12211-3 |
ISBN (Print) | 978-3-319-12210-6 |
DOIs | |
Publication status | Published - 2015 Jan 1 |
Subject classification (UKÄ)
- Theoretical Chemistry