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)
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11571/212423
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