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Density functional theory of inhomogeneous liquids. IV. Squared-gradient approximation and classical nucleation theory
2011
Journal of Chemical Physics
The Squared-Gradient approximation to the Modified-Core Van der Waals density functional theory model is developed. A simple, explicit expression for the SGA coefficient involving only the bulk equation of state and the interaction potential is given. The model is solved for planar interfaces and spherical clusters and is shown to be quantitatively accurate in comparisons to computer simulations. An approximate technique for solving the SGA based on piecewise-linear density profiles is
doi:10.1063/1.3582901
pmid:21528967
fatcat:rlnbxebe6nhahgstdl5nbujriq