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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 Slide 2 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 + Slide 3 e-impact excitation of A 2 ,B 2 -,C 2 - 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 Slide 4 Basis for Bethe-Born calculations: Potential energy curves, excitation energies, dipole transition moments: X 2 A 2 : Larsson, JCP (1983) X 2 B 2 -,C 2 - : Dishoeck, JCP (1986) Slide 5 Potential energy curves Slide 6 Dipole transition moments Slide 7 Slide 8 Slide 9 Slide 10 Slide 11 Slide 12 Slide 13 v-v transitions: scaling 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 X,F v,v =(E 0,0 /E v,v ) X,F (M v,v / M 0,0 ) X,F X,F 0,0 (x) F = A, B, C Slide 14 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 g + ) H (1s 2 ) + H(2s) ** Feshbach resonance with a, c triplets and C, EF singlets as parent states; ** E r (R)and (R) determined by Stibbe, Tennyson (J.Phys.B, 1998) for R 4a 0 Slide 15 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 Slide 16 Potential energy curves Slide 17 Slide 18 Slide 19 Slide 20 V=5 Slide 21 V=10 Slide 22 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) Slide 23 Atomic-orbital close-coupling method Slide 24 Cross sections for excitation, capture and ionization Initial conditions Close-coupling equations Slide 25 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) Slide 26 Part : H + +H(1s) collision system Electron capture to 1s, 2s and 2p states of H Slide 27 Energy behavior of 2s excitation cross section. Slide 28 Energy behavior of 2p excitation cross section Slide 29 Energy behavior of 3s excitation cross section Slide 30 Energy behavior of 3p excitation cross section Slide 31 Energy behavior of 3d excitation cross section Slide 32 Part : 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 +. Slide 33 Partial electron capture cross sections to He + (n), n = 1, 2, 3, 4. Slide 34 Total charge transfer cross section for He 2+ +H (1s) collision Slide 35 Energy behavior of 2p excitation cross section Slide 36 Energy behavior of 3p excitation cross section Slide 37 Part : C 6+ + H(1s) collision system Slide 38 Slide 39 Slide 40 Slide 41 Slide 42 Partial electron capture cross section to C 5+ (n=5) Slide 43 Partial electron capture cross section to C 5+ (n=4) Slide 44 Slide 45 Total electron capture cross sections for C 6+ +H (1s) collisions Slide 46 Part : O 8+ +H(1s) collision system Partial electron capture cross sections to O 7+ (n), n=4, 5, 6. Slide 47 Energy dependence of state-selective cross sections for electron capture to 4l states of O 7+ Slide 48 State-selective cross sections for electron capture to 5l states of O 7+ Slide 49 State-selective cross sections for electron capture to 6l states of O 7+. Slide 50 Total charge transfer cross sections for O 8+ +H (1s) collisions Slide 51 Part : He 2+ + He + (1s), He + (2s) collision systems State-selective cross sections for He 2+ +He + (1s) He + (nl) +He 2+. Slide 52 Partial charge transfer cross sections for He 2+ +He + (1s) He + (n) +He 2+, n=1, 2, 3. Slide 53 Total electron-capture cross section for He 2+ +He + (1s) He + +He 2+ Slide 54 State-selective cross sections for He 2+ +He + (2s) He + (nl) +He 2+ Slide 55 Partial charge transfer cross sections for He 2+ +He + (2s) He + (n) +He 2+, n = 1, 2, 3, 4. Slide 56 Total electron capture cross section for He 2+ +He + (2s) He + + He 2+ Slide 57 Cross sections for 2l and 3l excitation He 2+ +He + (2s) collisions Slide 58 Slide 59 Slide 60