Force-torque correlations |
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Authors: | William A. Steele |
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Affiliation: | Department of Chemistry , The Pennsylvania State University , University Park, Pennsylvania, 16802, U.S.A. |
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Abstract: | ![]() The equilibrium force-torque correlation ?Nf? is studied, first for a general fluid in which the intermolecular potential is expanded in generalized spherical harmonics, and then for the specific case of homonuclear diatomic molecules. If coordinate axes are taken with z axis parallel to the 12 intermolecular vector, it is shown that two (and only two) elements of the tensor are non-zero : ?nx (12)fy (12)? = -?ny (12)fx (12)?. For the linear molecule, these elements are evaluated in the limit of zero density for the atom-atom model of the potential. Example calculations are done, numerically for finite L (where L is the length of the diatomic molecule) and analytically in the limit of small L. |
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