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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 34, 1977 - Issue 6
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Original Articles

Monte Carlo calculation of y(r) for the hard-sphere fluid

G. Torrie Laboratoire de Physique Théorique et Hautes Energies, Université de Paris-Sûd, 91405, Orsay, FranceLaboratoire Associé au Centre National de la Recherche Scientifique.; Lash Miller Chemical Laboratories, University of Toronto, 80 St. George Street, Toronto, Ontario, Canada, M5S 1A1
&
G.N. Patey Laboratoire de Physique Théorique et Hautes Energies, Université de Paris-Sûd, 91405, Orsay, FranceLaboratoire Associé au Centre National de la Recherche Scientifique.; Division of Chemistry, National Research Council Canada, Ottawa, Canada, K1A OR6
Pages 1623-1628 | Received 14 Jun 1977, Published online: 22 Aug 2006

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Roland Roth & Hendrik Hansen-Goos. (2018) Classical density functional theory meets Monte-Carlo simulations. Molecular Physics 116:21-22, pages 3323-3330.
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C. Rascón, G. Navascués & L. Mederos. (1995) New exact relations for the many-cavity distribution function of non-uniform hard-sphere systems. Molecular Physics 84:2, pages 373-380.
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W.R. Smith, S. Labík, A. Malijevský & J. Šedlbauer. (1994) A new geometrically based integral equation hierarchy for hard-sphere systems. Molecular Physics 83:6, pages 1223-1231.
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Tahir Çağin & B. Montgomery Pettitt. (1991) Molecular dynamics with a variable number of molecules. Molecular Physics 72:1, pages 169-175.
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K.P. Shukla. (1987) Thermodynamic properties of simple fluid mixtures from perturbation theory. Molecular Physics 62:5, pages 1143-1163.
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Stanislav Labík, Anatol Malijevský & Ivo Nezbeda. (1987) Correlation functions of hard body fluids from thermodynamic properties of their mixtures. Molecular Physics 60:5, pages 1107-1120.
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JulieA. Ballance & RobinJ. Speedy. (1985) Calculation of y(r) inside the core for hard discs and spheres. Molecular Physics 54:5, pages 1035-1045.
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Stanislav Labík & Anatol Malijevský. (1984) Monte Carlo simulation of the background correlation function of non-spherical hard body fluids. Molecular Physics 53:2, pages 381-388.
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G.A. Martynov & G.N. Sarkisov. (1983) Exact equations and the theory of liquids. V. Molecular Physics 49:6, pages 1495-1504.
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DonaldS. Hall & W.R. Conkie. (1980) Thermodynamically self-consistent theories of simple liquids. Molecular Physics 40:4, pages 907-915.
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César Serna, Sergio Contreras & Alejandro Gil-Villegas. (2019) The radial and background distribution functions of Quantum Hard Spheres. Journal of Molecular Liquids 279, pages 88-93.
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Adam Edward Stones, Roel P. A. Dullens & Dirk G. A. L. Aarts. (2018) Communication: Contact values of pair distribution functions in colloidal hard disks by test-particle insertion. The Journal of Chemical Physics 148:24.
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David L. Cheung, Lucian Anton, Michael P. Allen, Andrew J. Masters, Jonathan Phillips & Matthias Schmidt. (2008) Structure and stability of isotropic states of hard platelet fluids. Physical Review E 78:4.
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Robin J. Speedy & Richard K. Bowles. (2008) Statistical Geometry and Cavity Correlations in the Hard Sphere Fluid. Collection of Czechoslovak Chemical Communications 73:3, pages 344-357.
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David L. Cheung, Lucian Anton, Michael P. Allen & Andrew J. Masters. (2008) Structure of molecular liquids: Hard rod-disk mixtures. Physical Review E 77:1.
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David L. Cheung, Lucian Anton, Michael P. Allen & Andrew J. Masters. (2006) Structure of molecular liquids: Cavity and bridge functions of the hard spheroid fluid. Physical Review E 73:6.
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Tapas R. Kunor & Srabani Taraphder. (2005) Molecular dynamics study of the density and temperature dependence of bridge functions in normal and supercritical Lennard-Jones fluids. Physical Review E 72:3.
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R. Fantoni & G. Pastore. (2004) Computer simulation study of the closure relations in hard sphere fluids. The Journal of Chemical Physics 120:22, pages 10681-10690.
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Dor Ben-Amotz & George Stell. (2003) Analytical implementation and critical tests of fluid thermodynamic perturbation theory. The Journal of Chemical Physics 119:20, pages 10777-10788.
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Max Teubner & Dirk Schwarzer. (2003) Vibrational energy relaxation in classical fluids. II. High-frequency spectra in liquids. The Journal of Chemical Physics 119:4, pages 2171-2180.
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J M Caillol & D Gilles. (2003) Monte Carlo simulations of the screening potential of the Yukawa one-component plasma. Journal of Physics A: Mathematical and General 36:22, pages 6243-6249.
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Byoung Jip Yoon & Young Gie Ohr. (2000) Calculation of the compressibilities of hard-sphere fluids from the radial free space distribution function and its application to sound velocity. The Journal of Chemical Physics 113:18, pages 8149-8153.
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Gari N. Sarkisov. (1999) Approximate equations of the theory of liquids in the statistical thermodynamics of classical liquid systems. Uspekhi Fizicheskih Nauk 169:6, pages 625.
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Dor Ben-Amotz, Argyroula Stamatopoulou & B. J. Yoon. (1997) Three-body distribution functions in hard sphere fluids. Comparison of excluded-volume-anisotropy model predictions and Monte Carlo simulation. The Journal of Chemical Physics 107:17, pages 6831-6838.
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Dor Ben-Amotz. (1997) Excluded volume anisotropy and two-cavity distribution functions in hard sphere fluids. The Journal of Chemical Physics 106:13, pages 5631-5637.
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Byoung Jip Yoon. (1995) Analytical expressions for the radial free space distribution function of the hard-sphere system and the phase transition. Chemical Physics Letters 234:1-3, pages 35-38.
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Argyroula Stamatopoulou, Luís E. S. de Souza, Dor Ben-Amotz & Julian Talbot. (1995) Chemical potentials of hard molecular solutes in hard sphere fluids. Monte Carlo stimulations and analytical approximations. The Journal of Chemical Physics 102:5, pages 2109-2112.
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Douglas Henderson, Kwong-yu Chan & Léo Degrève. (1994) The direct correlation functions and bridge functions for hard spheres near a large hard sphere. The Journal of Chemical Physics 101:8, pages 6975-6978.
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Mario Llano-Restrepo & Walter G. Chapman. (1994) Bridge function and cavity correlation function for the soft sphere fluid from simulation: Implications on closure relations. The Journal of Chemical Physics 100:7, pages 5139-5148.
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Phil Attard. (1993) Simulation of the chemical potential and the cavity free energy of dense hard-sphere fluids. The Journal of Chemical Physics 98:3, pages 2225-2231.
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Lloyd L. Lee. (1992) Chemical potentials based on the molecular distribution functions. An exact diagrammatical representation and the star function. The Journal of Chemical Physics 97:11, pages 8606-8616.
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E. Lomba, M. Alvarez, G. Stell & J. A. Anta. (1992) Bridge functions for models of liquid metals. The Journal of Chemical Physics 97:6, pages 4349-4355.
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Mario Llano-Restrepo & Walter G. Chapman. (1992) Bridge function and cavity correlation function for the Lennard-Jones fluid from simulation. The Journal of Chemical Physics 97:3, pages 2046-2054.
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Dominique Levesque & Jean Jarques Weis. 1992. The Monte Carlo Method in Condensed Matter Physics. The Monte Carlo Method in Condensed Matter Physics 121 204 .
Dominique Levesque & Jean Jacques Weis. 1995. The Monte Carlo Method in Condensed Matter Physics. The Monte Carlo Method in Condensed Matter Physics 121 204 .
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E. Lomba, M. Lombardero & J. L. F. Abascal. (1989) Background and bridge functions for the homonuclear hard diatomic fluid. The Journal of Chemical Physics 90:12, pages 7330-7337.
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Yaakov Rosenfeld. (1987) Distribution function of two cavities and Percus–Yevick direct correlation functions for a hard sphere fluid in D dimensions: Overlap volume function representation . The Journal of Chemical Physics 87:8, pages 4865-4869.
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P.A. Madden & F. van Swol. (1987) Comparison of the rate constants for VV energy transfer in the gas and liquid phases. Chemical Physics 112:1, pages 43-52.
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G. N. Sarkisov & G. A. Martynov. (1986) Some features of the direct correlation function in liquid theory. Journal of Structural Chemistry 27:1, pages 78-83.
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G. Giunta, C. Caccamo & P. V. Giaquinta. (1985) Structure and thermodynamics of a classical hard-sphere fluid: A self-consistent theory. Physical Review A 31:4, pages 2477-2483.
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J. Chesnoy. (1984) The effect of soft cores and anisotropic forces on vibrational energy relaxation in liquids. Chemical Physics 83:3, pages 283-291.
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David Chandler & Peter G. Wolynes. (1981) Exploiting the isomorphism between quantum theory and classical statistical mechanics of polyatomic fluids. The Journal of Chemical Physics 74:7, pages 4078-4095.
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Lawrence R. Pratt & David Chandler. (1980) Effective intramolecular potentials for molecular bromine in argon. Comparison of theory with simulation. The Journal of Chemical Physics 72:7, pages 4045-4048.
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James T. Hynes, Raymond Kapral & Glenn M. Torrie. (1980) Stochastic trajectory simulation of iodine recombination in liquids. The Journal of Chemical Physics 72:1, pages 177-188.
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Lawrence R. Pratt, C. S. Hsu & David Chandler. (1978) Statistical mechanics of small chain molecules in liquids. I. Effects of liquid packing on conformational structures. The Journal of Chemical Physics 68:9, pages 4202-4212.
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