Publikace ÚTF

Dissociative recombination by frame transformation to Siegert pseudostates: A comparison with a numerically solvable model

Hvizdoš, D.; Váňa, M.; Houfek, K.; Green, Ch. H.; Rescigno, T. N.; McCurdy, C., W.; Čurík, R.

We present a simple two-dimensional model of the indirect dissociative recombination process. The model
has one electronic and one nuclear degree of freedom and it can be solved to high precision, without making
any physically motivated approximations, by employing the exterior complex scaling method together with
the finite-elements method and discrete variable representation. The approach is applied to solve a model for
dissociative recombination of H2+ in the singlet ungerade channels, and the results serve as a benchmark to
test validity of several physical approximations commonly used in the computational modeling of dissociative
recombination for real molecular targets. The second, approximate, set of calculations employs a combination
of multichannel quantum defect theory and frame transformation into a basis of Siegert pseudostates. The cross
sections computed with the two methods are compared in detail for collision energies from 0 to 2 eV.
journal:Physical Review A
physreva.97.022704_vana.houfek.pdf (973.59 kB)

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