xdap 2004 xdap 2004 production and decay of atomic inner-shell vacancy states tom gorczyca western...
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XDAP 2004XDAP 2004
Production and Decay of Atomic Production and Decay of Atomic Inner-Shell Vacancy States Inner-Shell Vacancy States
Tom GorczycaTom Gorczyca Western Michigan UniversityWestern Michigan University
Inner-Shell Photoabsorption:Inner-Shell Photoabsorption:
Orbital Relaxation, Spectator Auger DecayOrbital Relaxation, Spectator Auger Decay
Inner-Shell Vacancies in Atomic Ions:Inner-Shell Vacancies in Atomic Ions:
Fluorescence vs. Auger Decay, Initial Populations, Fluorescence vs. Auger Decay, Initial Populations, Configuration InteractionConfiguration Interaction
XDAP 2004XDAP 2004
Auger Decay
Fluorescence
Inner-Shell Photoionization of Fe XXII
Inner-Shell Vacancy Fe XXIII + e-
XDAP 2004XDAP 2004
I:I: Inner-Shell Inner-Shell Photoexcitation of OPhotoexcitation of O
Motivation:
Synchrotron Measurements and Observations of (Neutral and Ionized) Oxygen Absorption Features
in the Interstellar Medium
XDAP 2004XDAP 2004
Inner-Shell Vacancy:Inner-Shell Vacancy: Orbital RelaxationOrbital Relaxation
O I (1s22s22p4)
O II* (1s2s22p4)
Need Multiple Orbitals and Configurations for an Need Multiple Orbitals and Configurations for an Accurate Atomic DescriptionAccurate Atomic Description
2p - O II*
2p - O I
XDAP 2004XDAP 2004
Inner Shell Photoexcitation of OInner Shell Photoexcitation of O
1s Vacancy Rydberg State1s Vacancy Rydberg State
Participator Auger DecayParticipator Auger Decay
Width: Width: n n-3 -3 → 0→ 0
Explicit Channels IncludedExplicit Channels Included
Spectator Auger DecaySpectator Auger Decay
Width: Width: n n0 0 = constant= constant
Infinite Number of ChannelsInfinite Number of Channels
XDAP 2004XDAP 2004
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Damped Fano ProfilesDamped Fano Profiles
Mirroring ResonancesMirroring Resonances
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Participator Auger DecayParticipator Auger DecaySpectator Auger DecaySpectator Auger Decay
Theory vs. ExperimentTheory vs. Experiment
Standard (solid) vs. Optical Potential (dashed) R-matrixStandard (solid) vs. Optical Potential (dashed) R-matrix
XDAP 2004XDAP 2004
Experiment Experiment Experiment Experiment vs.vs. R-matrixR-matrix No Relaxation of Orbitals:No Relaxation of Orbitals:
Poor Energy PositionsPoor Energy Positions
No Spectator Auger Decay:No Spectator Auger Decay:
Unphysically Narrow Unphysically Narrow ResonancesResonances
Participator: Participator: n n-3-3
Spectator: Spectator: n n00
Entered into CHANDRA Database (1998)
1s1s→2p→2p 1s1s→3p→3p
OO22(1s(1s→→ππ*)*)
XDAP 2004XDAP 2004
Experiment Experiment vs.vs.
Optical PotentialOptical Potential R-matrix R-matrix
Relaxation and Relaxation and Spectator Auger Spectator Auger Decay IncludedDecay Included
OO22(1s(1s→→ππ*)*)
1s1s→2p→2p 1s1s→3p→3p
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Intensity: I = IIntensity: I = I0 0 ee--σσNN
Column Density: N = ∫ n dxColumn Density: N = ∫ n dx
NNOO = 10 = 101818-10-101919 cmcm-2-2
XDAP 2004XDAP 2004
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II:II: Fluorescence and Auger Decay Fluorescence and Auger Decay of Inner-Shell Vacancy Ionic Statesof Inner-Shell Vacancy Ionic States
Motivation:
Modeling of Shocked and Photoionized Plasmas with Production of a 1s-Vacancy
•Active Galactic NucleiActive Galactic Nuclei
•X-Ray BinariesX-Ray Binaries
•Supernova RemnantsSupernova Remnants
•Intracluster Medium of Galaxy ClustersIntracluster Medium of Galaxy Clusters
XDAP 2004XDAP 2004
Auger Decay
Fluorescence
Inner-Shell Photoionization of Fe XXII
Inner-Shell Vacancy Fe XXIII + e-
XDAP 2004XDAP 2004
Fe XXIII Fluorescence Yield = 0.4903
Existing Fluorescence/Auger Existing Fluorescence/Auger Data BaseData Base
XDAP 2004XDAP 2004
Comparison of Be-Like Fluorescence ResultsComparison of Be-Like Fluorescence Results
Explicit calculations for neutrals only
E. J. McGuire (1969,1970,1971,1972)
Single-configuration
LS coupling
Multiconfiguration
Intermediate Coupling
Explicit calculations performed
for each member of the sequence
using AUTOSTRUCTUREH-like Z-scaling for higher members
Ratio of Configuration Averages Configuration Average of Ratios
Gorczyca et al. Ap.J. (2003) Kaastra & Mewe (1993)
XDAP 2004XDAP 2004
4 6 8 10 12 14 16 18 20 22 24 26 28 300.0
0.1
0.2
0.3
0.4
0.5
0.6
Be-like 1s2s22p (1P,3P)
Kaastra & Mewe Present MCDF HULLAC
Flu
ore
sce
nce
Yie
ld
Nuclear Charge Z
Fluorescence Yield ResultsFluorescence Yield Results
XDAP 2004XDAP 2004
Fluorescence Yield ResultsFluorescence Yield Results
10 12 14 16 18 20 22 24 26 28 300.0
0.1
0.2
0.3
0.4
0.5
0.6
F-like 1s2s22p6 (2S)
HULLAC Present Kaastra & Mewe
Flu
ore
sce
nce
Yie
ld
Nuclear Charge Z
XDAP 2004XDAP 2004
XDAP 2004XDAP 2004
Fluorescence Yield ResultsFluorescence Yield Results
4 6 8 10 12 14 16 18 20 22 24 26 28 300.0
0.1
0.2
0.3
0.4
0.5
0.6
Be-like 1s2s22p (1P,3P)
Kaastra & Mewe Present MCDF HULLAC
Flu
ore
sce
nce
Yie
ld
Nuclear Charge Z
Be-like Problematic -
What about Li-Like?
XDAP 2004XDAP 2004
Kaastra and Mewe (1993)
Fe XXIV Fluorescence Yield = 0.0 !
Li-Like Single Configuration:Li-Like Single Configuration:Fe XXIV (1s2sFe XXIV (1s2s22) ) → 1s→ 1s22 + + ee-- onlyonly
Li-Like Configuration Interaction:Li-Like Configuration Interaction:Fe XXIV (Fe XXIV (cc111s2s1s2s2 2 ++ cc221s2p1s2p22) ) → 1s→ 1s22 + + ee-- 84% 84%
→ 1s2p + → 1s2p + hhνν 16% 16% cc22 22 ≈ 0.10≈ 0.10 Fluorescence Yield = 0.16 ≠Fluorescence Yield = 0.16 ≠ 0.0 !0.0 !
XDAP 2004XDAP 2004
SummarySummary
Higher-order description of autoionizing states (and their decay) is Higher-order description of autoionizing states (and their decay) is required for accurate astrophysics data:required for accurate astrophysics data:
Photoabsorption of O and Fluorescence of Ions.Photoabsorption of O and Fluorescence of Ions.
CollaboratorsCollaborators
C. N. Kodituwakku, K. T. Korista, O. Zatsarinny, I. Dumitriu, M. F. HasogluC. N. Kodituwakku, K. T. Korista, O. Zatsarinny, I. Dumitriu, M. F. Hasoglu
Western Michigan UniversityWestern Michigan University
N. R. BadnellN. R. Badnell
University of Strathclyde, Glasgow, UKUniversity of Strathclyde, Glasgow, UK
B. M. McLaughlinB. M. McLaughlin
Queens University, Belfast, UKQueens University, Belfast, UK
D. W. SavinD. W. Savin
Columbia UniversityColumbia University
Supported in part by NASASupported in part by NASA
J. Garcia, C. Mendoza, M. A. Bautista, T. R. Kallman, and P. Palmeri
E. Behar and M. H. Chen
XDAP 2004XDAP 2004
““Astrophysicists work on `Important’, `Big’ problems and think that Astrophysicists work on `Important’, `Big’ problems and think that the basic physics that they require to solve their problems has already the basic physics that they require to solve their problems has already
been done, or, if it has not been done, it is easy and can be readily been done, or, if it has not been done, it is easy and can be readily reproduced, as opposed to the hard problems they are working on. reproduced, as opposed to the hard problems they are working on.
They have it backward. Getting the basic data is the hard part. When They have it backward. Getting the basic data is the hard part. When all the basic physics is known, pushing the `state-of-the-art’ becomes all the basic physics is known, pushing the `state-of-the-art’ becomes
straightforward.’’straightforward.’’
Robert L. Kurucz, Harvard-Smithsonian Center for AstrophysicsRobert L. Kurucz, Harvard-Smithsonian Center for Astrophysics
Atomic and Molecular Needs for AstrophysicsAtomic and Molecular Needs for Astrophysics
33rdrd International Conference on International Conference on Atomic and Molecular Data and Their Applications Atomic and Molecular Data and Their Applications
AIP Conf. Proc. 636, 2002.AIP Conf. Proc. 636, 2002.
XDAP 2004XDAP 2004
Our Papi, Who art in Fenway
Hallowed by thy team.
Thou kicketh ass,
On Yankee grass,
And at home, as you did in the Bronx.
Give us this year our shiny rings,
And forgive us our talk of curses,
As we forgive those who talk of curses against us.
And lead us not into extra innings,
But deliver us from choking.
For thou art the Schilling,
And the Pedro,
And the D-Lowe,
For ever and ever.
Damon.