Role of potential structure in nonadiabatic collisions with applications to +Ne(2)→+Ne(23s) and Na+I→+
- 1 July 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 48 (1) , 279-285
- https://doi.org/10.1103/physreva.48.279
Abstract
The first-order functional-sensitivity densities δ(E)/δ(R) from close-coupling calculations are used for a quantitative probe of the role of structure in crossing diabatic curves used to model nonadiabatic collisions. Application to the excitation of Ne by shows a region of significance for δ(E)/δ(R) as a prominent Gaussian-like profile around the crossing point () in accord with the δ(R-) idealization of the Landau-Zener-Stueckelberg (LZS) theory. Similarly, the densities δ(E)/δ(R) and δ(E)/δ(R) mimic dδ(R-)/dR-type behavior with one being the negative of the other in the neighborhood of , in qualitative agreement with the LZS theory. However, all three sensitivity profiles identify a much broader area of importance for the curves than the loosely defined avoided-crossing region. Also, although the sensitivities themselves decrease with increasing energy, the domain of importance of the curves increases. Examination of the functional-sensitivity densities δ(E)/δ(R) for the chemi-ionization collision Na+I→+ reveals regions of potential-function importance very different from that predicted by the LZS theory.
Keywords
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