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The 2B1 shape resonance in electron-formaldehyde scattering: An investigation using the dilated electron propagator method
, M.K. Mishra
Published in Elsevier
1998
Volume: 296
   
Issue: 1-2
Pages: 43 - 50
Abstract
The zeroth order, second order, diagonal two particle one hole-Tamm Dancoff approximation and the corresponding quasi-particle decouplings of the dilated electron propagator have been applied to investigate the 2B1 HCHO- shape resonance. The results from these calculations are in good agreement with the experimental and other theoretical results. The resonant orbital is shown to be the C=O π* orbital and the correlation and relaxation effects in conjunction with complex scaling assist resonance formation by lowering the antibonding nature of the C=O π* orbital to make it more suitable for metastable electron attachment.
About the journal
JournalData powered by TypesetChemical Physics Letters
PublisherData powered by TypesetElsevier
ISSN00092614