THE HAMILTONIAN FOR A WEAKLY INTERACTING TRIMER OF POLYATOMIC MONOMERS

Citation
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
Citations number
26
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
103
Issue
18
Year of publication
1995
Pages
8022 - 8030
Database
ISI
SICI code
0021-9606(1995)103:18<8022:THFAWI>2.0.ZU;2-U
Abstract
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.