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Please use this identifier to cite or link to this item: http://dspace.library.iitb.ac.in/jspui/handle/10054/808

Title: The 2B1 shape resonance in electron-formaldehyde scattering: an investigation using the dilated electron propagator method
Keywords: molecule-electron collisions
electron attachment
organic compounds
Issue Date: 1998
Publisher: Elsevier
Citation: Chemical Physics Letters 296(1-2), 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=0π* orbital and the correlation and relaxation effects in conjunction with complex scaling assist resonance formation by lowering the antibonding nature of the >C=0π* orbital to make it more suitable for metastable electron attachment.
URI: http://dx.doi.org/http://dx.doi.org/10.1016/S0009-2614(98)01005-7
ISSN: 0009-2614
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