General algebraic expressions of totally symmetric potential functions for AXn (n = 3,4) molecules

The integrity bases for representations of the nuclear permutation groups S_n (n = 3,4) in the space of internal coordinates describing AX_n molecules are determined. This allows optimal expressions of the molecular potential energy functions in terms of internal coordinates that are totally symmetric with respect to permutations of indistinguishable nuclei. © 1993 John Wiley & Sons, Inc.