Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
97 (1992), S. 4349-4355
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The 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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.463904
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