Ab initiodescription of counterion screening in colloidal suspensions
- 17 February 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 68 (7), 1081-1084
- https://doi.org/10.1103/physrevlett.68.1081
Abstract
A classical version of the Car-Parinello method is proposed, combining density-functional theory for the counterions and molecular dynamics for the macroions, to simulate charged colloidal suspensions. The classic Derjaguin-Landau-Verway-Overbeek (linear screening) theory is shown to fail for large macroion packing fractions.Keywords
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