Editing Fully anisotropic rigid molecules
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The fivefold dependence of the pair functions, <math>\Phi(12)=\Phi(r_{12},\theta_1, \theta_2, \phi_{12}, \chi_1, \chi_2)</math>, for liquids of rigid, fully anisotropic molecules makes these equations excessively complex for numerical work | The fivefold dependence of the pair functions, <math>\Phi(12)=\Phi(r_{12},\theta_1, \theta_2, \phi_{12}, \chi_1, \chi_2)</math>, for liquids of rigid, fully anisotropic molecules makes these equations excessively complex for numerical work (see Ref. 1). | ||
The first and essential ingredient for their reduction is a spherical harmonic | The first and essential ingredient for their reduction is a spherical harmonic | ||
expansion of the correlation functions, | expansion of the correlation functions, | ||
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<math>\Phi_{l_1 l_2 m}^{00}(r_{12})</math> for linear molecules. | <math>\Phi_{l_1 l_2 m}^{00}(r_{12})</math> for linear molecules. | ||
==References== | ==References== | ||
#[http://dx.doi.org/10.1063/1.469615 F. Lado, E. Lomba and M. Lombardero "Integral equation algorithm for fluids of fully anisotropic molecules", Journal of Chemical Physics '''103''' pp. 481-484 (1995)] | |||
[[category: integral equations]] | [[category: integral equations]] |