Invariant Expansion for Two-Body Correlations: Thermodynamic Functions, Scattering, and the Ornstein—Zernike Equation
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- L. Blum
- Physics Department, University of Puerto Rico, Rio Piedras, Puerto Rico 00931
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- A. J. Torruella
- Physics Department, University of Puerto Rico, Rio Piedras, Puerto Rico 00931
抄録
<jats:p>An invariant expansion of the two-body statistical correlation function of a fluid is proposed. This expansion does not depend on any particular reference frame used to define the orientation of the molecules, and therefore can be reduced to the expansions of the literature in a simple way. The new expansion permits a rather convenient way of including the effects of molecular symmetry into it. The expressions for a few thermodynamic properties in terms of this expansion are obtained. The equations for x-ray, neutron, and light scattering are somewhat simpler using this expansion. The Ornstein—Zernike equation has a very convenient form, and is given in Fourier transformed form in terms of 6j angular recoupling coefficients.</jats:p>
収録刊行物
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- The Journal of Chemical Physics
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The Journal of Chemical Physics 56 (1), 303-310, 1972-01-01
AIP Publishing