1. High Accuracy Atomic Physics in Astronomy ITAMP 2006 K-Shell Absorption and Emission Calculations Tom Gorczyca Western Michigan University X-Ray Photoabsorption of O and Ne X-Ray Photoabsorption of O and Ne Orbital Relaxation Orbital Relaxation Auger Broadening of Resonances Auger Broadening of Resonances Elemental Abundances in the ISM Elemental Abundances in the ISM Fluorescence/Auger Decay of Li-like → F-like Ions Deficiencies in Existing Data Base Importance of Higher-Order Effects (CI, S.O., etc.) Breakdown of the Configuration-Average Approximation High Accuracy Atomic Physics in Astronomy ITAMP 2006

2. High Accuracy Atomic Physics in Astronomy ITAMP 2006 Inner-Shell Vacancy: Orbital Relaxation O I (1s 2 2s 2 2p 4 ) O II * (1s2s 2 2p 4 ) Really Need Pseudoorbitals and Additional Configurations for Relaxation Effects Requires Pseudoresonance Removal (Gorczyca et al. PRA, 1995) 2p - O II * 2p - O I

3. High Accuracy Atomic Physics in Astronomy ITAMP 2006 Spectator Auger Decay Theory vs. Experiment Standard (solid) vs. Optical Potential (dashed) R-matrix Participator Auger Decay

4. High Accuracy Atomic Physics in Astronomy ITAMP 2006 Experiment Experiment vs.R-matrix Experiment vs. R-matrix No Relaxation of Orbitals: Energy Positions Too High No Spectator Auger Decay: Unphysically Narrow (Unresolvable) Resonances Entered into CHANDRA Database (1998) 1s→2p 1s→3p O 2 (1s→π*)

5. High Accuracy Atomic Physics in Astronomy ITAMP 2006 Experiment vs. Optical Potential R-matrix Relaxation and Spectator Auger Decay Included O 2 (1s→π*) 1s→2p 1s→3p

6. High Accuracy Atomic Physics in Astronomy ITAMP 2006

7. High Accuracy Atomic Physics in Astronomy ITAMP 2006 Experimental results only exist for Ne I Independent Model (IP) results do not include resonances Ne I cannot absorb 1s→2p photons Ne II and higher show strong absorption features Photoabsorption of Neon Ions

8. High Accuracy Atomic Physics in Astronomy ITAMP 2006 Intensity: I = I 0 e -σN Column Density: N = ∫ n dx N O = 10 18 -10 19 cm -2

9. High Accuracy Atomic Physics in Astronomy ITAMP 2006 Comparison 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 AUTOSTRUCTURE H-like Z-scaling for higher members Ratio of Configuration AveragesConfiguration Average of Ratios Gorczyca et al. Ap.J. (2003)Kaastra & Mewe (1993)

10. High Accuracy Atomic Physics in Astronomy ITAMP 2006 Fluorescence Yield Results

11. High Accuracy Atomic Physics in Astronomy ITAMP 2006 Fluorescence Yields of Li-like 1s2s(2) Ions

12. High Accuracy Atomic Physics in Astronomy ITAMP 2006

13. High Accuracy Atomic Physics in Astronomy ITAMP 2006 Strong LSJ Dependence of Fluorescence Yields: Breakdown of the Configuration-Average Approximation Astrophysical Journal Letters, in press (2006)

14. High Accuracy Atomic Physics in Astronomy ITAMP 2006