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The 2B1 shape resonance in electron-formaldehyde scattering: an investigation using the dilated electron propagator method

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Title The 2B1 shape resonance in electron-formaldehyde scattering: an investigation using the dilated electron propagator method
 
Creator MAHALAKSHMI, S
MISHRA, MK
 
Subject molecule-electron collisions
electron attachment
organic compounds
 
Description 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.
 
Publisher Elsevier
 
Date 2009-02-27T11:08:42Z
2011-11-25T18:05:05Z
2011-12-26T13:06:38Z
2011-12-27T05:54:38Z
2009-02-27T11:08:42Z
2011-11-25T18:05:05Z
2011-12-26T13:06:38Z
2011-12-27T05:54:38Z
1998
 
Type Article
 
Identifier Chemical Physics Letters 296(1-2), 43-50
0009-2614
http://dx.doi.org/http://dx.doi.org/10.1016/S0009-2614(98)01005-7
http://hdl.handle.net/10054/808
http://dspace.library.iitb.ac.in/xmlui/handle/10054/808
 
Language en