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Formation of the ion-pair in electron recombination with H+3

Åsa Larson1, Johanna B Roos1 and Ann E Orel2

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We present a two-dimensional theoretical study of the formation of the ion-pair, H+2 + H, in electron recombination with H+3 in its ground electronic and vibrational state. The relevant potential energy surfaces, electronic couplings and autoionization widths are calculated by combining electron scattering calculations with quantum chemistry calculations. The nuclear dynamics on six coupled electronic states is studied by propagating wave packets using the MCTDH (Multi Configuration Time-Dependent Hartree) method. Also the cross section for ion-pair formation in electron recombination with D+3 is calculated.


PACS

34.80.Lx Recombination, attachment, and positronium formation

31.15.vq Electron correlation calculations for polyatomic molecules

33.15.Mt Rotation, vibration, and vibration-rotation constants

34.20.-b Interatomic and intermolecular potentials and forces, potential energy surfaces for collisions

33.20.Tp Vibrational analysis

31.15.xr Self-consistent-field methods

Subjects

Atomic and molecular physics

Computational physics

Dates

Issue 1 (2009)



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