EPJ Web of Conferences
Volume 84, 2015DR2013: Ninth International Conference on Dissociative Recombination: Theory, Experiment, and Applications
|Number of page(s)||10|
|Section||Quantum Chemistry of Superexcited Molecular States|
|Published online||29 January 2015|
Studies of HeH: DR, RIP, VE, DE, PI, MN, …
1 Dept. of Physics, Stockholm University, 106 91 Stockholm, Sweden
2 Dept. of Chemical Engineering and Materials Science, University of California, Davis, USA
a Work supported by the Swedish Research Council; e-mail: email@example.com
b This work is supported by the National Science Foundation, PHY-11-60611, while working at the Foundation. Any opinion, finding and conclusions or recommendations expressed in this material are those of the author and do not necessarily reflect the views of the National Science Foundation; e-mail: firstname.lastname@example.org
Published online: 29 January 2015
The resonant states of HeH are computed by combining structure calculations at a full configuration interaction level with electron scattering calculations carried out using the Complex-Kohn variational method. We obtain the potential energy curves, autoionization widths, as well as non-adiabatic couplings among the resonant states. Using the non-adiabatic couplings, the adiabatic to diabatic transformation matrix can be obtained. A strict diabatization of the resonant states will be used to study various scattering processes where the resonant states are involved. These processes involve high energy dissociative recombination (DR) and ion-pair formation (RIP), resonant and direct dissociative excitation (DE), penning ionization (PI) as well as mutual neutralization (MN).
© Owned by the authors, published by EDP Sciences, 2015
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