CONVERGENT MULTICHANNEL CONTINUUM STATES BY A GENERAL CONFIGURATION-INTERACTION EXPANSION IN A B-SPLINE BASIS - APPLICATION TO H- PHOTODETACHMENT

Citation
M. Venuti et P. Decleva, CONVERGENT MULTICHANNEL CONTINUUM STATES BY A GENERAL CONFIGURATION-INTERACTION EXPANSION IN A B-SPLINE BASIS - APPLICATION TO H- PHOTODETACHMENT, Journal of physics. B, Atomic molecular and optical physics, 30(21), 1997, pp. 4839-4859
Citations number
52
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
30
Issue
21
Year of publication
1997
Pages
4839 - 4859
Database
ISI
SICI code
0953-4075(1997)30:21<4839:CMCSBA>2.0.ZU;2-T
Abstract
We report the theoretical calculation of the total and partial cross s ection and asymmetry parameter for H- photoionization up to the N = 3 threshold. Multichannel continuum wavefunctions are obtained via a lea st squares solution of the Schrodinger equation employing a basis set expansion based on a primitive B-spline radial basis and a general con figuration interaction (CI) form. This allows the use of a mixed full- CI and close coupling expansion in a completely general approach to im prove correlation description in the continuum channels. The present a lgorithm correctly describes the full range of phenomena encountered w ith remarkable accuracy both on nonresonant cross sections and resonan ce structures. An accuracy of better than 0.01 Mb is estimated on both the total and partial cross sections, except for the shape resonance. In addition, Fano resonance parameters compare very well with the bes t methods available based on Hylleraas-type wavefunctions and complex coordinate rotation.