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Bridge functions for models of liquid metals

AuthorsLomba, Enrique ; Álvarez, M.; Stell, G.; Anta, Juan A.
Issue Date15-Sep-1992
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 97: 4349-4355 (1992)
AbstractThe bridge function B(r) is extracted from pair-correlation data obtained by means of extensive molecular-dynamics simulations for two model potentials for liquid metals describing respectively aluminum and cesium. Insertion of the computed bridge functions in the reference hypernetted chain equation yields a pair-correlation function which exactly matches molecular-dynamics results. A comparison between these "experimental" bridge functions and the hard-sphere bridge function shows clear differences in the medium- and long-range behavior for the Al model potential and even more marked discrepancies for the softer Cs model potential. © 1992 American Institute of Physics.
Description7 pags., 4 figs.,
Publisher version (URL)http://dx.doi.org/10.1063/1.463904
Identifiersdoi: 10.1063/1.463904
issn: 0021-9606
Appears in Collections:(IQFR) Artículos
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