The journal of physical chemistry. B
Routes to the Density Profile and Structural Inconsistency.
S M Tschopp, H Vahid, J M Brader
Published: 202610.1021/acs.jpcb.5c07785
Abstract
Classical density functional theory (DFT) is the primary method for investigations of inhomogeneous fluids in external fields. It requires the excess Helmholtz free energy functional as input to an Euler-Lagrange equation for the one-body density. A…
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