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The (2)Pi(g) shape resonance in electron-acetylene scattering: an investigation using the dilated electron propagator method

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Title The (2)Pi(g) shape resonance in electron-acetylene scattering: an investigation using the dilated electron propagator method
 
Creator VENKATNATHAN, A
MISHRA, MK
 
Subject temporary anion states
e-ca scattering
energy-loss
e-be
e-mg
c2h2
approximation
transmission
hydrocarbons
excitation
 
Description The zeroth order (Sigma(0)), the second order (Sigma(2)), the diagonal two particle-one hole Tamm Dancoff approximation (Sigma(2ph-TDA)) and the corresponding quasi-particle decouplings of the dilated electron propagator have been used to investigate the (2)Pi(g) 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 pi(g)* 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. (C) 1998 .
 
Publisher ELSEVIER SCIENCE BV
 
Date 2011-07-27T00:45:19Z
2011-12-26T12:52:51Z
2011-12-27T05:39:48Z
2011-07-27T00:45:19Z
2011-12-26T12:52:51Z
2011-12-27T05:39:48Z
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://dspace.library.iitb.ac.in/xmlui/handle/10054/7063
http://hdl.handle.net/10054/7063
 
Language en