Editing Quantum hard spheres
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Attention has been focused upon the equilibrium properties, thermodynamic and structural. It is worth realizing that, while there is only one pair radial correlation function in the classical case, the quantum de-localisation brings about three different pair radial correlation functions in the quantum case, each of them possessing a definite physical meaning. Great emphasis has been placed on the study of the different structural functions, in both the [[r-correlation]] and the k-Fourier spaces that can be determined in a quantum many-body system, as they open an alternative way to carry out computations leading to the fixing of the [[Equations of state |equation of state]]. This effort has helped to clarify the role of the path-integral centroids in (equilibrium) quantum statistical mechanics, and also the possibilities of utilizing [[Ornstein-Zernike relation |Ornstein-Zernike]] classical frameworks in dealing with quantum fluids. | Attention has been focused upon the equilibrium properties, thermodynamic and structural. It is worth realizing that, while there is only one pair radial correlation function in the classical case, the quantum de-localisation brings about three different pair radial correlation functions in the quantum case, each of them possessing a definite physical meaning. Great emphasis has been placed on the study of the different structural functions, in both the [[r-correlation]] and the k-Fourier spaces that can be determined in a quantum many-body system, as they open an alternative way to carry out computations leading to the fixing of the [[Equations of state |equation of state]]. This effort has helped to clarify the role of the path-integral centroids in (equilibrium) quantum statistical mechanics, and also the possibilities of utilizing [[Ornstein-Zernike relation |Ornstein-Zernike]] classical frameworks in dealing with quantum fluids. | ||
==References== | ==References== | ||
#[http://dx.doi.org/10.1103/PhysRev.106.412 M. Fierz "Connection between Pair Density and Pressure for a Bose Gas Consisting of Rigid Spherical Atoms", Physical Review '''106''' 412 - 413 (1957)] | |||
#[http://dx.doi.org/10.1063/1.1705099 Elliott H. Lieb "Calculation of Exchange Second Virial Coefficient of a Hard-Sphere Gas by Path Integrals", Journal of Mathematical Physics '''8''' pp. 43-52 (1967)] | |||
#[http://dx.doi.org/10.1080/00268977500101711 W. G. Gibson "Quantum corrections to the properties of a dense fluid with non-analytic intermolecular potential function I. The general case" Molecular Physics '''30''' pp. 1-11 (1975)] | |||
#[http://dx.doi.org/10.1080/00268977500101721 W. G. Gibson "Quantum corrections to the properties of a dense fluid with non-analytic intermolecular potential function II. Hard spheres", Molecular Physics '''30''' pp. 13-30 (1975)] | |||
#[http://dx.doi.org/10.1063/1.437829 J. A. Barker "A quantum-statistical Monte Carlo method; path integrals with boundary conditions", Journal of Chemical Physics '''70''' pp. 2914-2918 (1979)] | |||
#[http://dx.doi.org/10.1063/1.446134 G. Jacucci and E. Omerti "Monte Carlo calculation of the radial distribution function of quantum hard spheres at finite temperatures using path integrals with boundary conditions", Journal of Chemical Physics '''79''' pp. 3051-3054 (1983)] | |||
#[http://dx.doi.org/10.1103/PhysRevB.38.135 Karl J. Runge and Geoffrey V. Chester "Solid-fluid phase transition of quantum hard spheres at finite temperatures", Physical Review B '''38''' 135 - 162 (1988)] | |||
#[http://dx.doi.org/10.1063/1.463076 J. Cao and B. J. Berne "A new quantum propagator for hard sphere and cavity systems", Journal of Chemical Physics '''97''' pp. 2382-2385 (1992)] | |||
#[http://dx.doi.org/10.1103/PhysRevLett.79.3549 Peter Grüter, David Ceperley and Frank Laloë "Critical Temperature of Bose-Einstein Condensation of Hard-Sphere Gases", Physical Review Letters '''79''' 3549 - 3552 (1997)] | |||
#[http://dx.doi.org/10.1063/1.2718523 Luis M. Sesé "Computational study of the melting-freezing transition in the quantum hard-sphere system for intermediate densities. I. Thermodynamic results", Journal of Chemical Physics '''126''' 164508 (2007)] | |||
#[http://dx.doi.org/10.1063/1.2718525 Luis M. Sesé and Lorna E. Bailey "Computational study of the melting-freezing transition in the quantum hard-sphere system for intermediate densities. II. Structural features", Journal of Chemical Physics '''126''' 164509 (2007)] | |||
#[http://dx.doi.org/10.1063/1.2753837 Luis M. Sesé and Lorna E. Bailey "Erratum: “Computational study of the melting-freezing transition in the quantum hard-sphere system for intermediate densities. II. Structural features” <nowiki>[</nowiki> Journal of Chemical Physics '''126''' 164509 (2007)<nowiki>]</nowiki>, Journal of Chemical Physics '''127''' 049901 (2007)] | |||
#[http://dx.doi.org/10.1063/1.2009733 Luis M. Sesé "Triplet correlations in the quantum hard-sphere fluid", Journal of Chemical Physics '''123''' 104507 (2005)] | |||
#[http://dx.doi.org/10.1063/1.1776114 Luis M. Sesé "Computation of the equation of state of the quantum hard-sphere fluid utilizing several path-integral strategies", Journal of Chemical Physics '''121''' 3702 (2004)] | |||
#[http://dx.doi.org/10.1063/1.1808115 L. E. Bailey and L. M. Sesé "The decay of pair correlations in quantum hard-sphere fluids", Journal of Chemical Physics '''121''' 10076 (2004)] | |||
#[http://dx.doi.org/10.1063/1.1618731 L. M. Sesé and L. E. Bailey "A simulation study of the quantum hard-sphere Yukawa fluid", Journal of Chemical Physics '''119''' 10256 (2003)] | |||
#[http://dx.doi.org/10.1080/0026897031000094470 L. M. Sesé "The compressibility theorem for quantum simple fluids at equilibrium", Molecular Physics '''101''' 1455 (2003)] | |||
#[http://dx.doi.org/10.1063/1.1468223 L. M. Sesé "Properties of the path-integral quantum hard-sphere fluid in k space", Journal of Chemical Physics '''116''' 8492 (2002)] | |||
#[http://dx.doi.org/10.1063/1.1401818 L. E. Bailey and L. M. Sesé "The asymptotic decay of pair correlations in the path-integral quantum hard-sphere fluid", Journal of Chemical Physics '''115''' 6557 (2001)] | |||
#[http://dx.doi.org/10.1063/1.1328751 L. M. Sesé "Path-integral Monte Carlo study of the structural and mechanical properties of quantum fcc and bcc hard-sphere solids", Journal of Chemical Physics '''114''' 1732 (2001)] | |||
#[http://dx.doi.org/10.1063/ L. M. Sesé "Thermodynamic ans structural properties of the path-integral quantum hard-sphere fluid", Journal of Chemical Physics '''108''' 9086 (1998)] | |||
#[http://dx.doi.org/10.1063/ L. M. Sesé and R. Ledesma "Computation of the static structure factor of the path-integral quantum hard-sphere fluid", Journal of Chemical Physics '''106''' 1134 (1997)] | |||
#[http://dx.doi.org/10.1063/ L. M. Sesé and R. Ledesma "Path-integral energy and structure of the quantum hard-sphere system using efficient propagators", Journal of Chemical Physics '''102''' 3776 (1995)] | |||
[[category: hard sphere]] | [[category: hard sphere]] |