Premium
Differential photoionization cross section calculations for HI using the random‐phase approximation with L 2 basis functions
Author(s) -
Cacelli I.,
Moccia R.
Publication year - 1996
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1996)60:1<409::aid-qua40>3.0.co;2-4
Subject(s) - photoionization , random phase approximation , ionization , basis set , basis (linear algebra) , atomic physics , asymmetry , valence (chemistry) , riemann–stieltjes integral , basis function , cross section (physics) , physics , chemistry , computational physics , quantum mechanics , integral equation , mathematical analysis , mathematics , molecule , ion , geometry
The photoionization cross sections and asymmetry parameters of the three main valence ionization processes in HI, corresponding to the formation of, respectively, 6π, 11σ, and 10σ holes, were calculated in the random‐phase approximation (RPA). Our particular computational procedure, based on solving the integral equation for the half on the shell K‐matrix upon a grid of points supplied by an L 2 basis set calculation, affords recovery of the electronic continuum degeneracy of the final states. This makes it possible to compute the differential ionization cross section at any energy up to the fourth ionization threshold, allowing for the interaction of the three channels considered. The total cross section obtained by applying the Stieltjes imaging procedure to the discrete spectrum yielded by the RPA is also reported. © 1996 John Wiley & Sons, Inc.