A Gay–Berne potential for dissimilar biaxial particles

We present a generalized biaxial Gay–Berne potential describing the interaction between two arbitrary, not necessarily identical, (AB) ellipsoidal particles. The model does not rely on approximate combination rules like that of Berthelot, but the pair energy is nevertheless computed efficiently using molecular parameters, optimized for the homogeneous cases (AA) and (BB), such as their respective shape and interaction biaxialities.