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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 76, 1992 - Issue 6
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Original Articles

A quantum Monte Carlo study of liquid Lennard-Jones methane, path-integral and effective potentials

Pages 1335-1346 | Received 09 Jul 1991, Accepted 08 Jan 1992, Published online: 26 Oct 2007

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Farida Darkrim, Asdin Aoufi & Dominique Levesque. (2000) Quantum Contribution to Gas Adsorption in Carbon Nanotubes. Molecular Simulation 24:1-3, pages 51-61.
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Chuixiong Wu, Ruye Li & Kuang Yu. (2022) Learning the Quantum Centroid Force Correction in Molecular Systems: A Localized Approach. Frontiers in Molecular Biosciences 9.
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Chuntao Jiang, Jie Ouyang, Xin Zhuang, Lihua Wang & Wuming Li. (2016) An efficient fully atomistic potential model for dense fluid methane. Journal of Molecular Structure 1117, pages 192-200.
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Luis M. Sesé. 2016. Advances in Chemical Physics. Advances in Chemical Physics 49 158 .
F. Betaouaf, F. Cailliez, B. Rousseau & F. Ould-Kaddour. (2014) Molecular simulation of the thermodynamics, structural and transport properties of the liquid binary mixture methane+nitrogen. Journal of Molecular Liquids 200, pages 298-304.
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Mohsen Abbaspour. (2012) Many-body and quantum effects in the surface tension and surface energy of liquid neon and argon using the Fowler’s approximation. Chemical Physics 392:1, pages 107-113.
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Fouzia Mesli, Radia Mahboub & Mourad Mahboub. (2011) Molecular dynamics comparative study of methane–nitrogen and methane–nitrogen–ethane systems. Arabian Journal of Chemistry 4:2, pages 211-222.
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N. Tchouar, M. Benyettou & H. Baghli. (2007) A reversible algorithm for Nosé molecular dynamics simulations. Equilibrium properties of liquid methane. Journal of Molecular Liquids 136:1-2, pages 5-10.
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Thomas L. Beck. 2007. Free Energy Calculations. Free Energy Calculations 389 422 .
N. Tchouar, M. Benyettou & F. Ould Kadour. (2005) Quantum computation of the thermodynamics, structural and transport properties of Lennard–Jones liquid systems: The Feynman–Hibbs approach. Journal of Molecular Liquids 122:1-3, pages 69-73.
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N. Tchouar, F. Ould-Kaddour & D. Levesque. (2004) Computation of the properties of liquid neon, methane, and gas helium at low temperature by the Feynman-Hibbs approach. The Journal of Chemical Physics 121:15, pages 7326-7331.
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N. Tchouar, M. Benyettou & F. Kadour. (2003) Thermodynamic, Structural and Transport Properties of Lennard-Jones Liquid Systems. A Molecular Dynamics Simulations of Liquid Helium, Neon, Methane and Nitrogen. International Journal of Molecular Sciences 4:12, pages 595-606.
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F. Calvo, J. P. K. Doye & D. J. Wales. (2001) Quantum partition functions from classical distributions: Application to rare-gas clusters. The Journal of Chemical Physics 114:17, pages 7312-7329.
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D. Colognesi, E. Degiorgi & E. Pace. (2001) Deep inelastic neutron scattering from freely rotating molecules. Physica B: Condensed Matter 293:3-4, pages 317-332.
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P. Cicu, P. Demontis, S. Spanu, G. B. Suffritti & A. Tilocca. (2000) Electric-field-dependent empirical potentials for molecules and crystals: A first application to flexible water molecule adsorbed in zeolites. The Journal of Chemical Physics 112:19, pages 8267-8278.
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Bertrand Guillot & Yves Guissani. (1998) Hydrogen-bonding in light and heavy water under normal and extreme conditions. Fluid Phase Equilibria 150-151, pages 19-32.
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Bertrand Guillot & Yves Guissani. (1998) Quantum effects in simulated water by the Feynman–Hibbs approach. The Journal of Chemical Physics 108:24, pages 10162-10174.
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Luis M. Sesé & Ricardo Ledesma. (1997) Computation of the static structure factor of the path-integral quantum hard-sphere fluid. The Journal of Chemical Physics 106:3, pages 1134-1147.
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Elena Ermakova, Jan Solca, Hanspeter Huber & Dominik Marx. (1995) Many-body and quantum effects in the radial distribution function of liquid neon and argon. Chemical Physics Letters 246:3, pages 204-208.
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Luis M. Sesé & Ricardo Ledesma. (1995) Path-integral Monte Carlo energy and structure of the quantum hard-sphere system using efficient propagators. The Journal of Chemical Physics 102:9, pages 3776-3786.
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D. Marx, S. Sengupta & P. Nielaba. (1993) Diatomic molecules, rotations, and path-integral Monte Carlo simulations: N2 and H2 on graphite. The Journal of Chemical Physics 99:8, pages 6031-6051.
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