Nonlinear Phenomena in Complex Systems, 2003, Vol.6, No.3, pp.757-761

NONLINEAR PHENOMENA IN COMPLEX SYSTEMS
An Interdisciplinary Journal

2003, Vol.6, No.3, pp.757-761

On Description of Interaction for Rigid Biaxial Molecules in Terms of Berne-Pechukas and Gay-Berne potentials
V.B.Nemtsov

The explicit expression for the energy parameter (strength) and for the contact distance (range parameter) of Gay-Berne and Berne-Pechukas potentials for biaxial rigid molecules are the first to been obtained. These parameters depend on the unit vector connecting the center of masses of two molecules and on four unit vectors describing the orientations of two interacting particles.
Key words: Gay-Berne potential, contact distance, biaxial molecules

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