Excluded-volume short-range repulsive potential for tetrahedralmolecules
Contributo in Atti di convegno
Data di Pubblicazione:
2010
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)
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)
Tipologia CRIS:
4.1 Contributo in Atti di convegno
Keywords:
excluded volume interactions; tetrahedral symmetry; symmetry-adapeted Wigner functions
Elenco autori:
Bisi, Fulvio; Longa, Lech; Pajak, Grzegorz; Rosso, Riccardo
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