Electron collisions with Cl2O using the R-matrix method

Citation
Kl. Baluja et al., Electron collisions with Cl2O using the R-matrix method, J PHYS B, 34(14), 2001, pp. 2807-2821
Citations number
40
Categorie Soggetti
Physics
Journal title
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
ISSN journal
09534075 → ACNP
Volume
34
Issue
14
Year of publication
2001
Pages
2807 - 2821
Database
ISI
SICI code
0953-4075(20010728)34:14<2807:ECWCUT>2.0.ZU;2-K
Abstract
The R-matrix method is used to calculate the elastic and excitation cross s ections of seven low-lying electronically excited states of the Cl2O molecu le. Sixteen states consisting of eight singlets and eight triplets are incl uded in the close-coupled expansion. These states have vertical excitation energies in the range 3.17-8.75 eV, which are in fair agreement with other more sophisticated calculations. We rind an electronically bound, but proba bly dissociative, state of Cl2O- With (2)A(1) symmetry with an adiabatic el ectron affinity of 0.4423 eV at the equilibrium geometry of Cl2O. There is a shape dissociative resonance of B-2(2) symmetry at 2.096 eV. We also find core-excited shape resonances in (2)A(1), (2)A(2), B-2(1) and B-2(2) symme tries. Cross sections are obtained for rotationally elastic and electronica lly inelastic scattering for electron impact energies up to 10 eV. Anionic and neutral dissociation products are considered.