By adapting a numerical code available to the scientific community, we evaluate the analytical excluded volume function for non-convex tetrahedral molecules, modelled as chains of tangent hard spheres. Since this function is overly complicated, we expand it over a suitable set of Symmetry Adapted Wigner Functions (SAWFs)
Excluded-volume short-range repulsive potential for tetrahedralmolecules
BISI, FULVIO;ROSSO, RICCARDO
2010-01-01
Abstract
By adapting a numerical code available to the scientific community, we evaluate the analytical excluded volume function for non-convex tetrahedral molecules, modelled as chains of tangent hard spheres. Since this function is overly complicated, we expand it over a suitable set of Symmetry Adapted Wigner Functions (SAWFs)File in questo prodotto:
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