Extension and generalization of the Gay-Berne potential.

In this paper, we report a generalised form for the range parameter governing the pair interaction between soft ellipsoidal particles. For non-equivalent uniaxial particles, we extend the Berne-Pechukas gaussian overlap formalism to obtain an explicit expression for this range parameter. We confirm that this result is identical to that given by an approach that is not widely recognised, based on an approximation to the Perram-Wertheim hard-ellipsoid contact function. We further illustrate the power of the latter route by using it to write down the range parameter for the interaction between two non-equivalent biaxial particles. An explicit interaction potential for non-equivalent uniaxial particles is obtained by importing the uniaxial range parameter result into the standard Gay-Berne form. A parameterisation of this potential is investigated for a rod-disk interaction. 2