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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 101, 2003 - Issue 8
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Original Articles

Calculation of elementary diagrams using a Metropolis-like simulation method

STANISLAV LABÍK Department of Physical Chemistry, Institute of Chemical Technology, 166 28, Prague 6, Czech Republic
,
HANA GABRIELOVÁ Department of Physical Chemistry, Institute of Chemical Technology, 166 28, Prague 6, Czech Republic
,
JI[Rbreve]Í KOLAFA Department of Physical Chemistry, Institute of Chemical Technology, 166 28, Prague 6, Czech Republic
&
ANATOL MALIJEVSKÝ Department of Physical Chemistry, Institute of Chemical Technology, 166 28, Prague 6, Czech Republic
Pages 1139-1146 | Received 05 Aug 2002, Accepted 17 Oct 2002, Published online: 23 Nov 2009

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Jung Ho Yang, Andrew J. Schultz, Jeffrey R. Errington & David A. Kofke. (2015) The rate of convergence of the virial series in confined systems. Molecular Physics 113:9-10, pages 1179-1189.
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K.R.S. Shaul, A.J. Schultz, A. Perera & D.A. Kofke. (2011) Integral-equation theories and Mayer-sampling Monte Carlo: a tandem approach for computing virial coefficients of simple fluids. Molecular Physics 109:20, pages 2395-2406.
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Andrew J. Schultz & David A. Kofke. (2009) Sixth, seventh and eighth virial coefficients of the Lennard-Jones model. Molecular Physics 107:21, pages 2309-2318.
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Aurélien Perera. (2009) Bridge function and fundamental measure theory: a test in dimension one. Molecular Physics 107:21, pages 2251-2259.
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Wen Wen Chen & Sang Kyu Kwak. (2009) Calculation of bridge function coefficients via modified Mayer-samplings. Molecular Physics 107:20, pages 2213-2220.
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Jiří Kolafa & Stanislav Labík. (2006) Density expansion of the radial distribution and bridge functions of the hard sphere fluid. Molecular Physics 104:12, pages 1915-1924.
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Articles from other publishers (18)

F. Lucco Castello & P. Tolias. (2022) Bridge functions of classical one-component plasmas. Physical Review E 105:1.
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Federico Lucco Castello & Panagiotis Tolias. (2021) Theoretical Estimate of the Glass Transition Line of Yukawa One-Component Plasmas. Molecules 26:3, pages 669.
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F. Lucco Castello, P. Tolias & J. C. Dyre. (2021) Testing the isomorph invariance of the bridge functions of Yukawa one-component plasmas. The Journal of Chemical Physics 154:3.
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Anthony Baptista & Aurélien Perera. (2019) Modeling micro-heterogeneity in mixtures: The role of many body correlations. The Journal of Chemical Physics 150:6.
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Cheng Zhang, Chun-Liang Lai & B. Montgomery Pettitt. (2015) Computation of virial coefficients from integral equations. The Journal of Chemical Physics 142:21.
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Douglas J. Ashton & Nigel B. Wilding. (2014) Three-body interactions in complex fluids: Virial coefficients from simulation finite-size effects. The Journal of Chemical Physics 140:24.
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J. Krejčí & I. Nezbeda. (2012) The critical temperature and properties of real gas from low order perturbed virial expansions. Fluid Phase Equilibria 314, pages 156-160.
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Magda Francová, Anatol Malijevský, Stanislav Labík & Jiří Kolafa. (2011) An accurate analytical representation of the bridge function of hard spheres and a question of existence of a general closure to the Ornstein–Zernike equation. Collection of Czechoslovak Chemical Communications 76:1, pages 51-64.
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A. Malijevský & J. Kolafa. 2008. Theory and Simulation of Hard-Sphere Fluids and Related Systems. Theory and Simulation of Hard-Sphere Fluids and Related Systems 1 26 .
Kenneth M. Benjamin, Jayant K. Singh, Andrew J. Schultz & David A. Kofke. (2007) Higher-Order Virial Coefficients of Water Models. The Journal of Physical Chemistry B 111:39, pages 11463-11473.
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M. Rouha & I. Nezbeda. (2007) Lower virial coefficients of primitive models of polar and associating fluids. Journal of Molecular Liquids 134:1-3, pages 107-110.
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Andrés Santos & Alexandr Malijevský. (2007) Radial distribution function of penetrable sphere fluids to the second order in density. Physical Review E 75:2.
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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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S. Amokrane, A. Ayadim & J. G. Malherbe. (2005) Structure of highly asymmetric hard-sphere mixtures: An efficient closure of the Ornstein-Zernike equations. The Journal of Chemical Physics 123:17.
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Sang Kyu Kwak & David A. Kofke. (2005) Evaluation of bridge-function diagrams via Mayer-sampling Monte Carlo simulation. The Journal of Chemical Physics 122:10.
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J. Vatamanu & N. M. Cann. (2004) Evaluation of site-site bridge diagrams for molecular fluids. The Journal of Chemical Physics 121:14, pages 6922-6934.
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Jayant K. Singh & David A. Kofke. (2004) Mayer Sampling: Calculation of Cluster Integrals using Free-Energy Perturbation Methods. Physical Review Letters 92:22.
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Jiří Kolafa, Stanislav Labík & Anatol Malijevský. (2004) Accurate equation of state of the hard sphere fluid in stable and metastable regions. Phys. Chem. Chem. Phys. 6:9, pages 2335-2340.
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