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Perturbation theory for dipolar hard spheres
Author(s) -
Hecht C. E.,
Henderson D.,
Tani A.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560220817
Subject(s) - 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 , statistics , astronomy
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.