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Multiple scattering theory of photoemission
Author(s) -
Davenport James W.
Publication year - 2009
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.560120814
Subject(s) - photoionization , shape resonance , rydberg formula , resonance (particle physics) , scattering , atomic physics , chemistry , position (finance) , rydberg state , orientation (vector space) , ionization , molecular physics , physics , optics , ion , geometry , mathematics , organic chemistry , finance , economics
The multiple scattering X α method has been used to calculate the photoionization cross sections of H 2 , N 2 , and CO. It has been shown previously that for N 2 there is a shape resonance about 1 Rydberg above threshold. The position and width of this resonance are investigated for various possible potentials and a single center expansion of the potential is constructed which shows the kind of barrier associated with resonances. Finally, the existence of a similar resonance in CO is used to deduce the orientation of the molecular axis for CO adsorbed on nickel.