Frame transformation relations for fluxional symmetric rotor dimers

J Chem Phys. 2004 Nov 15;121(19):9297-312. doi: 10.1063/1.1786572.

Abstract

The theory of frame transformation relation connecting body oriented angular momentum states and lab weakly coupled momentum states have been extended from rotor-electron to rotor-dimer systems. Coupling schemes are analyzed for weak and strong cases of correlation between lab and two different rotor body frames. It is shown that the frame transformation relation is a purely quantum effect at low angular momentum but an approach to a classical limit for high J. Symmetry analysis of frame transformation is compared to eigensolutions of model coupling Hamiltonian.