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Application of higher order decouplings of the dilated electron propagator to (2)Pi CO-, (2)Pi(g) N-2(-) and (2)Pi(g) C2H2- shape resonances

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Title Application of higher order decouplings of the dilated electron propagator to (2)Pi CO-, (2)Pi(g) N-2(-) and (2)Pi(g) C2H2- shape resonances
 
Creator MAHALAKSHMI, S
VENKATNATHAN, A
MISHRA, MK
 
Subject closed-shell atoms
e-ca scattering
molecule scattering
vibrational-excitation
acetylene scattering
cross-sections
e-be
approximation
abinitio
impact
 
Description The full third order (Sigma (3)), quasi-particle third order (Sigma (3)(q)) and outer valence Green's function (OVGF-A) decouplings of the bi-orthogonal dilated electron propagator have been implemented and results from their application to (2)Pi CO-, (2)Pi (g) N-2(-), and (2)Pi (g) C2H2- shape resonances are presented and compared with energies and widths obtained using the zeroth order (Sigma (0)), quasiparticle second order (Sigma (2)(q)) and second order (Sigma (2)) decouplings. The energies and widths from the various Sigma (3) decouplings for shape resonances are close to those obtained using the Sigma (2) approximant but the corresponding Feynman-Dyson amplitudes (FDAs) differ considerably. The differences between FDAs from different decouplings are analyzed to elicit the role of correlation and relaxation in the formation and decay of shape resonances. (C) 2001
 
Publisher AMER INST PHYSICS
 
Date 2011-07-15T12:55:02Z
2011-12-26T12:49:30Z
2011-12-27T05:34:04Z
2011-07-15T12:55:02Z
2011-12-26T12:49:30Z
2011-12-27T05:34:04Z
2001
 
Type Article
 
Identifier JOURNAL OF CHEMICAL PHYSICS, 115(10), 4549-4557
0021-9606
http://dx.doi.org/10.1063/1.1394754
http://dspace.library.iitb.ac.in/xmlui/handle/10054/4282
http://hdl.handle.net/10054/4282
 
Language en