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dc.contributor.authorZatsarinny, Oleg
dc.contributor.authorBartschat, Klaus
dc.date.accessioned2007-05-31T20:27:02Z
dc.date.available2007-05-31T20:27:02Z
dc.date.issued2007-05-31T20:27:02Z
dc.identifier.urihttp://hdl.handle.net/2092/567
dc.description.abstractPhotodetachment of O- (2p5)2P° has been investigated with a new R-matrix (close-coupling) code [1] that uses a B-spline basis for the continuum functions. The completeness of the B-spline basis ensures that no Buttle correction is needed for the R-matrix elements. Another distinguishing feature of the present work is the use of non-orthogonal orbital sets in the construction of the target and the scattering wavefunctions. This allows us to employ a highly correlated target description without possibly introducing inconsistencies between the continuum and the bound parts of the trial wavefunction. Our close-coupling expansion includes the lowest 25 bound and autoionizing states of neutral oxygen. Emphasis was placed on the accuracy of the target wavefunctions by describing each state (including the initial O- state) with a different set of orbitals, determined separately from state-specific multi-configuration Hartree-Fock calculations. Note that using non-orthogonal orbital sets directly accounts for relaxation effects during 2s or 2p excitation. Our absolute values of the photodetachment cross sections exceed the experimental values [2] by 40%. The latter measurements were carried out 45 years ago, but the data are still being used today to normalize current photodetachment measurements. Our previous calculations of B- and C- photodetachment [3] also show excellent agreement with experiment for the energy dependence, but the theoretical absolute values exceed the experimental data by 35%. Note, however, that both the measured B- and C- photodetachment cross sections were normalized to the O- data from [2]. Such very similar discrepancies between the absolute values from three independent calculations with a single experiment suggest a possible systematic error in [2]. [1] O. Zatsarinny, Comp. Phys. Commun. 174 (2006) 273. [2] S.J. Smith, Proc. 4th ICIPG, Uppsala (1959) IC219 [3] O. Zatsarinny and T.W. Gorczyca, Abstracts of XXIII ICPEAC, Stockholm (2003); We026, Th006.en
dc.description.sponsorshipThis work was supported by the National Science Foundation, under grants PHY-0244470 and PHY-0311161.en
dc.format.extent2995919 bytes
dc.format.mimetypeapplication/pdf
dc.language.isoen_US
dc.relation.ispartofseriesDUCURS 2006;23
dc.subjectPhotodetachmenten
dc.subjectPhotodissociationen
dc.subjectNuclear physicsen
dc.subjectNon-orthogonal orbital setsen
dc.subjectQuantum mechanicsen
dc.titlePhotodetachment of O-en
dc.typePresentationen


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  • DUCURS [196]
    Poster sessions and presentation from the Drake University Conference on Undergraduate Research in the Sciences held each April at Olmsted Center on the Drake campus.

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