The rovibrational kinetic energy for complexes of rigid molecules

Citation
Ka. Mitchell et Rg. Littlejohn, The rovibrational kinetic energy for complexes of rigid molecules, MOLEC PHYS, 96(9), 1999, pp. 1305-1315
Citations number
35
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
MOLECULAR PHYSICS
ISSN journal
00268976 → ACNP
Volume
96
Issue
9
Year of publication
1999
Pages
1305 - 1315
Database
ISI
SICI code
0026-8976(19990510)96:9<1305:TRKEFC>2.0.ZU;2-H
Abstract
The rovibrational kinetic energy for an arbitrary number of rigid molecules is computed. The result has the same general form as the kinetic energy in the molecular rovibrational Hamiltonian, although certain quantities are a ugmented to account for the rotational energy of the monomers. No specific choices of internal coordinates or body frame are made in order to accommod ate the large variety of such conventions. However, special attention is pa id to how key quantities transform when these conventions are changed. An e xample system is analysed explicitly as an illustration of the formalism.