Body frames and frame singularities for threeatom systems
Abstract
The subject of body frames and their singularities for threeparticle systems is important not only for largeamplitude rovibrational coupling in molecular spectroscopy, but also for reactive scattering calculations. This paper presents a geometrical analysis of the meaning of body frame conventions and their singularities in threeparticle systems. Special attention is devoted to the principal axis frame, a certain version of the Eckart frame, and the topological inevitability of frame singularities. The emphasis is on a geometrical picture, which is intended as a preliminary study for the more difficult case of fourparticle systems, where one must work in higherdimensional spaces. The analysis makes extensive use of kinematic rotations.
 Publication:

Physical Review A
 Pub Date:
 November 1998
 DOI:
 10.1103/PhysRevA.58.3705
 Bibcode:
 1998PhRvA..58.3705L
 Keywords:

 34.50.s;
 31.15.p;
 02.40.k;
 Scattering of atoms and molecules;
 Calculations and mathematical techniques in atomic and molecular physics;
 Geometry differential geometry and topology