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

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Title The 2Πg shape resonance in electron-acetylene scattering: an investigation using the dilated electron propagator method
 
Creator VENKATNATHAN, ARUN
MISHRA, MK
 
Subject molecule-electron collisions
resonant states
rpa calculations
 
Description The zeroth order (Σ0), the second order (Σ2), the diagonal two particle-one hole Tamm Dancoff approximation (Σ2ph-TDA) and the corresponding quasi-particle decouplings of the dilated electron propagator have been used to investigate the 2Πg C2H2- shape resonance. The results compare favourably with the experimental and other theoretical results. A plot of the resonant Feynman-Dyson amplitudes establishes that the capture of the impinging electron is indeed in the πg* orbital of the acetylene molecule. The resonant orbital on the real line shows the attributes of the acetylene lowest unoccupied molecular orbital and for the optimal complex scaling parameter shows a depletion of electron density near the carbon nuclei.
 
Publisher Elsevier
 
Date 2009-03-02T09:26:18Z
2011-11-25T18:11:06Z
2011-12-26T13:06:35Z
2011-12-27T05:54:35Z
2009-03-02T09:26:18Z
2011-11-25T18:11:06Z
2011-12-26T13:06:35Z
2011-12-27T05:54:35Z
1998
 
Type Article
 
Identifier Chemical Physics Letters 296(3-4), 223-232
0009-2614
http://dx.doi.org/10.1016/S0009-2614(98)01065-3
http://hdl.handle.net/10054/820
http://dspace.library.iitb.ac.in/xmlui/handle/10054/820
 
Language en