Ss. Xantheas et Bt. Sutcliffe, THE HAMILTONIAN FOR A WEAKLY INTERACTING TRIMER OF POLYATOMIC MONOMERS, The Journal of chemical physics, 103(18), 1995, pp. 8022-8030
The body-fixed Hamiltonian for a trimer of polyatomic monomers is expr
essed in terms of the distances between the monomer centers of mass an
d of the orientation angles of the monomers relative to the body-fixed
frame. The particular case where the monomers are water molecules is
considered in some detail. In this work we attempt to assess the possi
bility of using a computer algebra system to aid in the evaluation of
the angular matrix elements. (C) 1995 American Institute of Physics.