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Dissociative Recombination of H2+: A Comparison of Two Theoretical Methods

Publication at Faculty of Mathematics and Physics |
2017

Abstract

In this paper we summarize our preliminary results for dissociative recombination for a model molecular hydrogen cation system. The recombination cross sections are calculated by two different approaches.

The first method solves the model two-dimensional Hamiltonian in a numerically exact manner. These results are considered as reference data for the second, approximate approach that is more suitable for real molecular applications: the method of frame transformation into the basis of Siegert states representing nuclear degrees of freedom.