Lennard-Jones sticks: a new model for linear molecules.
We consider the anisotropic interaction between two line segments consisting of a homogeneous distribution of Lennard-Jones centers. The potential energy of such a pair cannot be expressed in closed form. However, we show that it may be approximated in a way that renders this intuitively appealing model competitive both for simulations and theory.
Vesely
Franz J
FJ
Computational Physics Group, Department of Experimental Physics, University of Vienna, Boltzmanngasse 5, A-1090 Vienna, Austria. vesely@univie.ac.at