JOURNAL ARTICLE

Perturbation theory for dipolar hard spheres

Charles E. HechtDouglas HendersonAlessandro Tani

Year: 2009 Journal:   International Journal of Quantum Chemistry Vol: 22 (S16)Pages: 159-165   Publisher: Wiley

Abstract

Grand partition function methods are used to generate formal perturbation theory expressions systematically through fifth order for the Helmholtz free energy (A) and through third order for the angle-averaged two-body radial distribution function of a system of hard spheres perturbed by embedded electric dipoles. Integrating as required over all dipole orientations causes most terms in these expressions to vanish such that numerical evaluation for the first time of the fourth-order contribution to A appears to be feasible using the Monte Carlo method. This work is in progress.

Keywords:
Helmholtz free energy Dipole Monte Carlo method Perturbation theory (quantum mechanics) Physics SPHERES Statistical physics Hard spheres Perturbation (astronomy) Partition function (quantum field theory) Classical mechanics Mathematics Quantum mechanics

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Citation History

Topics

Thermodynamic properties of mixtures
Physical Sciences →  Chemical Engineering →  Fluid Flow and Transfer Processes
Material Dynamics and Properties
Physical Sciences →  Materials Science →  Materials Chemistry
Scientific Research and Discoveries
Physical Sciences →  Physics and Astronomy →  Statistical and Nonlinear Physics

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