novel perturbation, hard-core Yukawa fluid, structure factor, Lennard-Jones
A novel perturbation approach for the structure factor S(k) of the Lennard-Jones-type Yukawa fluid with z=1.8 is presented. An approach is based on a new reference system, that is, the short-range Yukawa model with z0 > z=1.8. By choosing for the reference system the value z0=6, it is shown that (i) the proposed approach for S(k) performs much better than the traditional hard-sphere reference perturbation method does; (ii) the use of an approximate mean spherical (MSA) description of the reference structure factor provides the results for S(k) that are more accurate as those obtained from the direct MSA computations; and (iii) the results obtained for S(k) tend to reproduce exact simulation results when accurate simulation data for the reference system are used.
Original Publication Citation
Melnyk, Roman, Filip Mou, Ivo Nezbeda, and Andrij Trokhymchuk."Novel perturbation approach for the structure factor of the attractive hard-core Yukawa fluid." The Journal of Chemical Physics 127 (27).
BYU ScholarsArchive Citation
Trokhymchuk, Andrij; Melnyk, Roman; Moucka, Filip; and Nezbeda, Ivo, "Novel perturbation approach for the structure factor of the attractive hard-core Yukawa fluid" (2007). All Faculty Publications. 234.
Physical and Mathematical Sciences
Chemistry and Biochemistry
© 2007 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics. The following article appeared in The Journal of Chemical Physics and may be found at http://link.aip.org/link/?JCPSA6/127/094510/3
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