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

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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

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XDAP 2004XDAP 2004

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-

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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.