Structure of hard body fluids. A critical compilation of selected computer simulation data

1989 ◽  
Vol 54 (5) ◽  
pp. 1137-1202 ◽  
Author(s):  
Ivo Nezbeda ◽  
Stanislav Labík ◽  
Anatol Malijevský

Computer simulation data on structural properties [spherical harmonic expansion coefficients of the full pair correlation function g(1,2), radial slices through g(1,2), the background correlation function y(1,2), and the triplet correlation function (for hard spheres), various angle averages of g(1,2) and, for hard spheres, also the direct correlation and bridge functions] of pure hard body fluids known to date have been critically assessed and tables of selected data are presented. In addition to the tables, parametrizations of the data are also given whenever they have been available. The molecular models considered include both convex body models (spheres and prolate spherocylinders) and interaction -site models (homo- and heteronuclear diatomics, linear and nonlinear symmetric triatomics, and tetrahedral penta-atomics).

2002 ◽  
Vol 100 (16) ◽  
pp. 2629-2640 ◽  
Author(s):  
JIŘÍ KOLAFA ◽  
STANISLAV LABÍK ◽  
ANATOL MALIJEVSKÝ

1993 ◽  
Vol 50 (3) ◽  
pp. 359-367 ◽  
Author(s):  
M. A. Berkovsky

A generalized hydrodynamic model is used to evaluate the frequency spectra of longitudinal and transverse modes in dense strongly coupled two-component plasmas. The results are compared with available computer simulation data.


1993 ◽  
Vol 80 (1) ◽  
pp. 91-101 ◽  
Author(s):  
Erich A. Müller ◽  
Keith E. Gubbins

1968 ◽  
Vol 46 (7) ◽  
pp. 879-888 ◽  
Author(s):  
M. S. Miller ◽  
J. D. Poll

A quantum-mechanical calculation of the pair correlation function for hard spheres in the low-density limit has been made. This calculation is, therefore, valid at low temperatures, where quantum-mechanical diffraction and symmetry effects are important. Results are given for various temperatures and hard-sphere diameters. The pair correlation function is presented in the form g = gB + gS, where gB is the correlation function for Boltzmann particles and gS describes the symmetry effects. It is found that gS(R) for any value of the separation R is always smaller than the corresponding value for free particles.


2019 ◽  
Vol 21 (18) ◽  
pp. 9317-9325 ◽  
Author(s):  
László Almásy ◽  
Alexander I. Kuklin ◽  
Martina Požar ◽  
Anthony Baptista ◽  
Aurélien Perera

The structure of aqueous propylamine mixtures is investigated through X-ray and neutron scattering experiments, and the scattered intensities compared with computer simulation data.


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