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Complex scaled local density calculations: A review of recent developments
Author(s) -
Krylstedt Peter,
Elander Nils,
Brändas Erkki
Publication year - 1986
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/qua.560300724
Subject(s) - scattering , resonance (particle physics) , metastability , polarization (electrochemistry) , physics , shape resonance , electron , wave function , quantum mechanics , quantum electrodynamics , chemistry
In this paper we review some recent developments of complex scaled local density models for treating shape resonances. The present scattering model is based on the static exchange plus polarization approximation, where we have the possibility to formally include continuum electron exchange with just the uppermost bound orbital or with all target electrons. This theory is then tested on the well known 2 P shape resonances in the Be − and Mg − metastable ions and the 2 D shape resonance in the e − ‐ Mg scattering system. From the above formulation of the scattering problem we calculate partial wave S‐matrix or Green's function resonance poles that can be used to interpret structures due to shape resonances in the cross section. In this contribution, however, we limit the numerical investigation to the partial wave S ‐matrix pole information and its interpretation and connection to the shape resonance.