Loading...
Comparison of weighted-density-functional theories for inhomogeneous liquids
Kroll, D. M. Laird, Brian Bostian
Kroll, D. M.
Laird, Brian Bostian
Citations
Altmetric:
Abstract
Three recent weighted-density-functional (WDF) theories are critically examined in terms of their ability to describe correctly the structure of a hard-sphere fluid at a hard wall. A new derivation of the Curtin-Ashcroft WDF theory is given that clarifies the basic approximations behind this formulation and brings out the close relationship between their work and the WDF theories of Meister-Kroll and Groot–van der Eerden. The condition that the second functional derivative of the approximate Helmholtz free-energy functional yields the correct two-particle direct-correlation function in the homogeneous limit is found to be of crucial importance in determining good liquid structures.
Description
This is the publisher's version, also available electronically from http://journals.aps.org/pra/abstract/10.1103/PhysRevA.42.4806.
Date
1990-10-15
Journal Title
Journal ISSN
Volume Title
Publisher
American Physical Society
Collections
Research Projects
Organizational Units
Journal Issue
Keywords
Citation
Kroll, D. M.; Laird, Brian Bostian. (1990). "Comparison of weighted-density-functional theories for inhomogeneous liquids." Physical Review A, 42:4806. http://dx.doi.org/10.1103/PhysRevA.42.4806