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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 100, 2002 - Issue 16
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Original Articles

The bridge function of hard spheres by direct inversion of computer simulation data

JIŘÍ KOLAFA Institute of Physical Chemistry, Prague Institute of Chemical Technology, 166 28, Praha 6, Czech Republic
,
STANISLAV LABÍK Institute of Physical Chemistry, Prague Institute of Chemical Technology, 166 28, Praha 6, Czech Republic
&
ANATOL MALIJEVSKÝ Institute of Physical Chemistry, Prague Institute of Chemical Technology, 166 28, Praha 6, Czech Republic
Pages 2629-2640 | Received 08 Jan 2002, Accepted 22 Feb 2002, Published online: 01 Dec 2009

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N. Ghaouar, L. Belbahri, S. Trabelsi, A. Aschi & A. Gharbi. (2010) Study of Cellulase Enzymes Conformational Changes: Numerical Prediction. Journal of Macromolecular Science, Part B 50:1, pages 33-40.
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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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W. R. Smith, D. J. Henderson, P. J. Leonard , J. A. Barker & E. W. Grundke. (2008) Fortran codes for the correlation functions of hard sphere fluids. Molecular Physics 106:1, pages 3-7.
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J. Kolafa & M. Rottner. (2006) Simulation-based equation of state of the hard disk fluid and prediction of higher-order virial coefficients. Molecular Physics 104:22-24, pages 3435-3441.
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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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STANISLAV LABÍK, HANA GABRIELOVÁ, JI[Rbreve]Í KOLAFA & ANATOL MALIJEVSKÝ. (2003) Calculation of elementary diagrams using a Metropolis-like simulation method. Molecular Physics 101:8, pages 1139-1146.
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F. Lucco Castello, P. Tolias & T. Dornheim. (2022) Classical bridge functions in classical and quantum plasma liquids. Europhysics Letters 138:4, pages 44003.
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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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P. Tolias & F. Lucco Castello. (2019) Isomorph-based empirically modified hypernetted-chain approach for strongly coupled Yukawa one-component plasmas. Physics of Plasmas 26:4.
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Luc Belloni. (2017) Exact molecular direct, cavity, and bridge functions in water system. The Journal of Chemical Physics 147:16.
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S. Pieprzyk, A. C. Brańka & D. M. Heyes. (2017) Representation of the direct correlation function of the hard-sphere fluid. Physical Review E 95:6.
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Andrzej Patrykiejew, Stefan Sokolowski & Orest Pizio. 2016. Surface and Interface Science. Surface and Interface Science 883 1253 .
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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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Jokhan Ram. (2014) Equilibrium theory of molecular fluids: Structure and freezing transitions. Physics Reports 538:4, pages 121-185.
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J Solana. 2013. Perturbation Theories for the Thermodynamic Properties of Fluids and Solids. Perturbation Theories for the Thermodynamic Properties of Fluids and Solids.
Bernarda Kežić & Aurélien Perera. (2012) Revisiting aqueous-acetone mixtures through the concept of molecular emulsions. The Journal of Chemical Physics 137:13.
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Joël Puibasset & Luc Belloni. (2012) Bridge function for the dipolar fluid from simulation. The Journal of Chemical Physics 136:15.
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Aurélien Perera, Larisa Zoranić, Franjo Sokolić & Redha Mazighi. (2011) A comparative Molecular Dynamics study of water–methanol and acetone–methanol mixtures. Journal of Molecular Liquids 159:1, pages 52-59.
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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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Linda Viererblová, Jiří Kolafa, Stanislav Labík & Anatol Malijevský. (2010) Virial coefficients and equation of state of the penetrable sphere model. Phys. Chem. Chem. Phys. 12:1, pages 254-262.
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S. Hlushak, A. Trokhymchuk & S. Sokołowski. (2009) Direct correlation function of the square-well fluid with attractive well width up to two particle diameters. The Journal of Chemical Physics 130:23.
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Larisa Zoranić, Redha Mazighi, Franjo Sokolić & Aurélien Perera. (2009) Concentration fluctuations and microheterogeneity in aqueous amide mixtures. The Journal of Chemical Physics 130:12.
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Pavel Morávek, Jiří Kolafa & Magda Francová. (2008) Fluids of Hard Nonspherical Molecules. II. Monte Carlo Data and Equation of State. Collection of Czechoslovak Chemical Communications 73:4, pages 459-480.
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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 .
David L. Cheung, Lucian Anton, Michael P. Allen & Andrew J. Masters. (2007) Structure of molecular liquids: Closure relations for hard spheroids. Physical Review E 76:4.
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J M Brader & R L C Vink. (2007) Structure and phase equilibria of the Widom–Rowlinson model. Journal of Physics: Condensed Matter 19:3, pages 036101.
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Al. Malijevský, S. Sokołowski & T. Zientarski. (2006) Structure and phase behavior of Widom-Rowlinson model calculated from a nonuniform Ornstein-Zernike equation. The Journal of Chemical Physics 125:11, pages 114505.
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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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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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Jean-Marc Bomont & Jean-Louis Bretonnet. (2004) A consistent integral equation theory for hard spheres. The Journal of Chemical Physics 121:3, pages 1548-1552.
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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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