Determination of the quantum static structure factor of liquid neon within the Feynman-Hibbs picture
Titel:
Determination of the quantum static structure factor of liquid neon within the Feynman-Hibbs picture
Auteur:
SESE, LUIS M.
Verschenen in:
Molecular physics
Paginering:
Jaargang 89 (1996) nr. 6 pagina's 1783-1802
Jaar:
1996-12-20
Inhoud:
The quantum static structure factor of liquid neon at several state points is determined. The methodology involves the combined use of Baxter's equations (1968, Aust. J. Phys., 21, 563), Dixon-Hutchinson's numerical procedure (1977, Molec. Phys., 33, 1663) and Monte Carlo simulations with the quadratic Feynman-Hibbs effective potential complemented with the necessary deconvolution operation which produces the true interparticle radial distribution functions (1994, Molec. Phys., 81, 1297). A study of the theoretical features is performed paying attention to the particle quantum form factor and to the formulation of an Ornstein-Zernike equation for the Feynman-Hibbs picture. The results cover the behaviour of Baxter's Q'-function, direct correlation functions, structure factors and isothermal compressibilities. The numerical consistency of the results for the structure factor is also analysed by connecting the true particle structure factor with that of the centres of mass of the gaussian packets representing the true particles. Comparison with experiment is made wherever possible and the agreement turns out to be very good.
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