TITLE

Application of higher order decouplings of the dilated electron propagator to [sup 2]Π CO[sup -], [sup 2]Π[sub g] N[sub 2][sup -] and [sup 2]Π[sub g] C[sub 2]H[sub 2][sup -] shape resonances

AUTHOR(S)
Mahalakshmi, S.; Venkatnathan, Arun; Mishra, Manoj K.
PUB. DATE
September 2001
SOURCE
Journal of Chemical Physics;Sep2001, Vol. 115 Issue 10
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The full third order (Σ[sup 3]), quasi-particle third order (Σ[sub q][sup 3]) 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 [sup 2]Π CO[sup -], [sup 2]Π[sub g] N[sub 2][sup -], and [sup 2]Π[sub g] C[sub 2]H[sub 2][sup -] shape resonances are presented and compared with energies and widths obtained using the zeroth order (Σ[sup 0]), quasiparticle second order (Σ[sub q][sup 2]) and second order (Σ[sup 2]) decouplings. The energies and widths from the various Σ[sup 3] decouplings for shape resonances are close to those obtained using the Σ[sup 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. © 2001 American Institute of Physics.
ACCESSION #
5072566

 

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