24 May 2011 IAEA 2 nd Research Coordination Meeting on Light Element Atom, Molecule, and Radical Behaviour in the Divertor and Edge Plasma regions Processes of electron and molecular ion collisions relevant to divertor plasma: hydrogen molecular ion and its isotopes Data on Molecular ion and electron collision Molecular assisted recombination in divertor other processes, HeH /NeH, CH, H 3, their isotopes D, T Hidekazu Takagi (Kitasato University) JAEA data compilation CRP on Light Element Atom, Molecule and Radical Behaviour in the Divertor and Edge Plasma Regions by IAEA, Calculated data up to now Potential energy curve Low energy(<1ev): DR, Vib. & Rot. Tr. High energy 0.2-11 ev : DR, DE, Vib. Tr., D 2,T 2,HD,DT (with indirect proc.) Configuration Interaction Non-adiabatic Interaction Low energy(<1ev) DR of HeH, NeH (high rotational states) Formulation and developing code for higher energy higher accuracy open shell electronic state, tri-atomic molecule Quantum Defect Theory (MQDT) Unify continuum (ionized) and bound (Rydberg) state Strong non-adiabatic interaction A*(n) B AB (v,n) e Indirect process in DR: temporally captured into Rydberg state by exciting rotational and/or rotational motion Concept: separation of interaction from boundary condition Extend to nuclear motion (diss/vib) A - B A(n) B e AB** AB (v,n ) e 1
two-step method (CI MQDT) HeH, H 3 HeH, H 3 MQDT: indirect process Collision energy higher than 1 ev Energy discretization (state normalization) two-step method (CI MQDT) E=0.3 --12 ev, D 2, HD, DT,T 2 HeH, H 3 Dissociative Rydberg state MQDT: indirect process Takagi 2002 Phys scripta Energies higher than 1 ev 2
Scattering by the CI Lippman-Schwinger eqn. for K matrix K=VVG 0 K Perturbation (Born series): not converge in general Algebraic method: Chebyshev quadrature CI as a function of R and E the lowest twoelectron excited state Coupling with d partial wave vibration dissociation CI at R, Energy VG 0 K= Takagi, Hara,Sato 2009 (v=0,n=0) DR reduced cs HD D 2 T 2 Low energy DR HD State selective/ultra-cold experiments (v =N =0) TSR CRYRING TARNII pot CI 1st order HD 1st order rate x E 1/2 3
v =0 v =0 Non-adiabatic interaction (Indirect process) vibrational transition indirect Direct only Non-adiabatic int. Indirect process CI Direct process : cos sin Neglected in the study 2002 (Phyca scripta T96, 52) 4
vibrational transition non-adiabatic(with indirect) (v=0) 解離性再結合 Direct only indirect Direct only Fine structure by Rydberg state (v=0-4) dissociative excitation 直接過程 isotopes(v=0) DR/DE, D 2, T 2, HD, TD 5
Next step New method(strong NA coup.) i, i : including inelastic channels Dynamic information is obtained only if fixed nuclear electronic data are input Comparsn with previous method R-matrix calculation collaborating with Motomichi Tashiro (IMS) Data on Molecular ion and electron collision Molecular assisted recombination in divertor other processes, HeH /NeH, CH, H 3, their isotopes D, T DR of NeH A Fluorescu & J B Mitchell JAEA data compilation CRP on Light Element Atom, Molecule and Radical Behaviour in the Divertor and Edge Plasma Regions by IAEA, For effective use of data Huge amount of law data Atomic & molecular data Analysis of plasma Collisional Radiative Model analysis by Keiji Sawada (Shinsyu Univ) Design of divertor and plasma diagnostics Cooperation through electric data (~200MB/mol.) 6
Electric data 7