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Comparison of weighted-density-functional theories for inhomogeneous liquids
dc.contributor.author | Kroll, D. M. | |
dc.contributor.author | Laird, Brian Bostian | |
dc.date.accessioned | 2015-01-12T15:35:51Z | |
dc.date.available | 2015-01-12T15:35:51Z | |
dc.date.issued | 1990-10-15 | |
dc.identifier.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 | |
dc.identifier.issn | 1050-2947 | |
dc.identifier.uri | http://hdl.handle.net/1808/16225 | |
dc.description | This is the publisher's version, also available electronically from http://journals.aps.org/pra/abstract/10.1103/PhysRevA.42.4806. | |
dc.description.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. | |
dc.publisher | American Physical Society | |
dc.title | Comparison of weighted-density-functional theories for inhomogeneous liquids | |
dc.type | Article | |
kusw.kuauthor | Laird, Brian Bostian | |
kusw.kudepartment | Chemistry | |
dc.identifier.doi | 10.1103/PhysRevA.42.4806 | |
kusw.oaversion | Scholarly/refereed, publisher version | |
kusw.oapolicy | This item does not meet KU Open Access policy criteria. | |
dc.rights.accessrights | openAccess |