Im. Umanskii et Ld. Ievleva, DYNAMICS OF A WAVEPACKET IN A SYSTEM OF CROSSING ELECTRONIC TERMS OF DIATOMIC-MOLECULES, CHEMICAL PHYSICS REPORTS, 16(10), 1997, pp. 1733-1745
Specific features of the behavior of IBr, a good example of diatomic m
olecules, are inferred from quasiclassical expressions governing the d
ynamics of a wavepacket in the predissociated electronic state. Multic
hannel motion of a wavepacket in the system of crossing electronic ter
ms tends to increase the number of fractions, into which the wavepacke
t splits, and changes the qualitative pattern of the intramolecular dy
namics, whenever there is a region of strong nonadiabaticity. It is sh
own that the long-term evolution of the wavepacket furnishes informati
on about the structure of both adiabatic and diabatic terms.