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New Contributions to A+M Databases for Plasma Modeling R.K. Janev Macedonian Academy of Sciences and Arts, Skopje, Macedonia IAEA RCM on A+M data for plasma modeling, Nov. 17-19, 2008

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Outline: Electron impact processes: - Excitation of A, B, C, electronic states of CH; - Dissociative electron attachment on H 2 (v) in the 14 eV energy region State-selective electron capture in H(1s) – fully stripped ion collisions Electron loss cross sections of Li q+, Be q+, B q+ and C q+ ions colliding with H and H +

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e-impact excitation of A 2 ∆,B 2 Σ -,C 2 Σ - states of CH: 0-0 transitions (collaboration with R. Celiberto and D. Reiter) Cross sections: ** E ≤ 10 eV: R-Matrix (Baluja, Msezane, J.Phys.B: 34, 3157 (2001)) ** E ≥ 20 eV: Bethe –Born ** 10 eV ≤ E ≤ 20 eV: interpolation

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Basis for Bethe-Born calculations: Potential energy curves, excitation energies, dipole transition moments: X 2 Π → A 2 ∆ : Larsson, JCP (1983) X 2 Π → B 2 Σ -,C 2 Σ - : Dishoeck, JCP (1986)

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Potential energy curves

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Dipole transition moments

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v-v’ transitions: scaling σ X,F v,v’ (x) ~ (1/x )(1/∆E X,F v,v’ ) M X,F v,v’ (Born) x = E/∆E X,F v,v’, M X,F v,v’ = | | 2 σ X,F v,v’ =(∆E 0,0’ /∆E v,v’ ) X,F (M v,v’ / M 0,0’ ) X,F σ X,F 0,0’ (x) F = A, B, C

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Dissociative electron attachment on H 2 (v) near 14 eV (collaboration with R. Celiberto, J. Wadehra and A. Laricchiuta) e + H 2 (X;v) → H 2 − ( 2 Σ g + ) → H − (1s 2 ) + H(2s) ** Feshbach resonance with a, c triplets and C, EF singlets as parent states; ** E r (R)and Γ(R) determined by Stibbe, Tennyson (J.Phys.B, 1998) for R ≤ 4a 0

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Method: Resonace theory with local complex potential; Exrapolation of S&T data for R ≥ 4a 0 ; RVE calculations with this extrapolation gave good agreement with Gomer and Read exp. data

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Potential energy curves

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V=5

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V=10

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State-selective electron capture in H(1s) - A Z+ and He 2+ -He + collisions (collaboration with J.G. Wang and L. Liu, Beijing) A Z+ = H +, He 2+, C 6+, O 8+ He + = He + (1s), He + (2s) Method: AOCC with extremely large expansion basis (the largest to date)

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Atomic-orbital close-coupling method

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Cross sections for excitation, capture and ionization Initial conditions Close-coupling equations

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Used AO basis sets H + + H: 10P/156H (excitation) (icludes 99ps) 156P/10 H (charge exchange) He 2+ + H: 20P/156H (exc); 156P/20 (CX) C 6+ + H: 120P/4H (CX) (before: 35P/1H) O 8+ + H: 84P/4H (CX) (before: 45P/1H)

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Part Ⅰ : H + +H(1s) collision system Electron capture to 1s, 2s and 2p states of H

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Energy behavior of 2s excitation cross section.

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Energy behavior of 2p excitation cross section

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Energy behavior of 3s excitation cross section

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Energy behavior of 3p excitation cross section

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Energy behavior of 3d excitation cross section

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Part Ⅱ : He 2+ + H(1s) collision system: Energy dependence of state-selective cross sections for electron capture to 1s, 2l, 3l and 4l states of He +.

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Partial electron capture cross sections to He + (n), n = 1, 2, 3, 4.

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Total charge transfer cross section for He 2+ +H (1s) collision

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Energy behavior of 2p excitation cross section

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Energy behavior of 3p excitation cross section

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Part Ⅲ : C 6+ + H(1s) collision system

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Partial electron capture cross section to C 5+ (n=5)

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Partial electron capture cross section to C 5+ (n=4)

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Total electron capture cross sections for C 6+ +H (1s) collisions

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Part Ⅳ : O 8+ +H(1s) collision system Partial electron capture cross sections to O 7+ (n), n=4, 5, 6.

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Energy dependence of state-selective cross sections for electron capture to 4l states of O 7+

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State-selective cross sections for electron capture to 5l states of O 7+

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State-selective cross sections for electron capture to 6l states of O 7+.

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Total charge transfer cross sections for O 8+ +H (1s) collisions

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Part Ⅴ : He 2+ + He + (1s), He + (2s) collision systems State-selective cross sections for He 2+ +He + (1s)→ He + (nl) +He 2+.

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Partial charge transfer cross sections for He 2+ +He + (1s)→ He + (n) +He 2+, n=1, 2, 3.

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Total electron-capture cross section for He 2+ +He + (1s) → He + +He 2+

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State-selective cross sections for He 2+ +He + (2s)→ He + (nl) +He 2+

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Partial charge transfer cross sections for He 2+ +He + (2s)→ He + (n) +He 2+, n = 1, 2, 3, 4.

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Total electron capture cross section for He 2+ +He + (2s)→ He + + He 2+

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Cross sections for 2l and 3l excitation He 2+ +He + (2s) collisions

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