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Higher order decouplings of the dilated electron propagator with applications to (PBe-)-P-2, (PMg-)-P-2 shape and (SBe+)-S-2 (1s(-1)) Auger resonances

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Title Higher order decouplings of the dilated electron propagator with applications to (PBe-)-P-2, (PMg-)-P-2 shape and (SBe+)-S-2 (1s(-1)) Auger resonances
 
Creator VENKATNATHAN, A
MAHALAKSHMI, S
MISHRA, MK
 
Subject plus polarization formulation
complex rotated approach
e-ca scattering
ionization energies
e-be
e-mg
atoms
approximation
widths
affinities
 
Description The full third order (Sigma (3)), quasi-particle third order (Sigma (3)(q)) and Outer Valence Green's Function. decouplings of the bi-orthogonal dilated electron propagator have been implemented for the first time and results from their application to P-2 Be-, P-2 Mg- shape and S-2 Be+ (1s(-1)) Auger resonances are presented and compared with energies-and widths obtained using the zeroth order (Sigma (0)), quasi-particle second order (Sigma (2)(q)) and second order (Sigma (2)) decouplings. The energies and widths from third order decoupling for shape resonances are close to those obtained using second order self-energy approximants. The energy and width calculated using the third order decoupling for Auger resonances provide better agreement with experimental results, with the much more economic quasi-particle third order decoupling being just as effective. The differences between FDAs from different decouplings are analyzed to elicit the role of correlation and relaxation: in the formation and decay of shape and Auger resonances. (C) 2001
 
Publisher AMER INST PHYSICS
 
Date 2011-07-16T07:12:07Z
2011-12-26T12:49:38Z
2011-12-27T05:35:11Z
2011-07-16T07:12:07Z
2011-12-26T12:49:38Z
2011-12-27T05:35:11Z
2001
 
Type Article
 
Identifier JOURNAL OF CHEMICAL PHYSICS, 114(1), 35-47
0021-9606
http://dx.doi.org/10.1063/1.1328395
http://dspace.library.iitb.ac.in/xmlui/handle/10054/4358
http://hdl.handle.net/10054/4358
 
Language en