Theoretical spin-polarization parameters of molecular photoelectrons: Application to hydrogen halides
- 1 November 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 36 (10) , 4759-4774
- https://doi.org/10.1103/physreva.36.4759
Abstract
The nonrelativistic formulation of Cherepkov [J. Phys. B 14, 2165 (1981)] of the spin-resolved photoionization cross sections is extended from the Hund’s coupling case (a) to case (c) for the description of the ion molecular state. The spin-polarization parameters are analyzed in terms of a generalization of the partitioning scheme developed by Thiel [Chem. Phys. 77, 103 (1983)] for the study of the β asymmetry parameter. This scheme allows a detailed analysis of different l contributions to spin-polarization parameters and, in the case of a single predominant term, a straightforward evaluation of these parameters. In the framework of the frozen-core static-exchange approximation, this formulation is used for the calculation and the interpretation of the spin-polarization parameters in the case of the πnp outer-shell and d inner-shell photoionizations of the HBr and HI molecules in the energy region of Cooper minima and shape resonances.Keywords
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