Rovibrational states, electron nuclear dynamics

Rovibrational states, electron nuclear dynamics (END), molecular systems, final-state analysis, 344-349... 

In Chapter VI, Ohm and Deumens present their electron nuclear dynamics (END) time-dependent, nonadiabatic, theoretical, and computational approach to the study of molecular processes. This approach stresses the analysis of such processes in terms of dynamical, time-evolving states rather than stationary molecular states. Thus, rovibrational and scattering states are reduced to less prominent roles as is the case in most modem wavepacket treatments of molecular reaction dynamics. Unlike most theoretical methods, END also relegates electronic stationary states, potential energy surfaces, adiabatic and diabatic descriptions, and nonadiabatic coupling terms to the background in favor of a dynamic, time-evolving description of all electrons. 

In principle, once the electronic states have been chosen, the nuclear dynamics for each partner can be solved too. Averaging with a particular rovibrational quantum state, id (a 1) or k2(cc2) respectively, one obtains... 

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