The one-particle Green’s function method in the Dirac–Hartree–Fock framework. I. Second-order valence ionization energies of Ne through Xe

2004 ◽  
Vol 120 (9) ◽  
pp. 4098-4106 ◽  
Author(s):  
M. Pernpointner ◽  
A. B. Trofimov
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Function Method ◽  
Second Order ◽  
Green’S Function Method ◽  
Ionization Energies ◽  
Hartree Fock ◽  
The One

Ionization energies of hydrogen-bonded dimers with the outer-valence Green’s function method

2021 ◽  
Vol 541 ◽  
pp. 111031
Author(s):  
Bastien Casier ◽  
Stéphane Carniato ◽  
Tsveta Miteva ◽  
Nicolas Sisourat ◽  
Nathalie Capron
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Function Method ◽  
Green’S Function Method ◽  
Ionization Energies ◽  
Outer Valence ◽  
Hydrogen Bonded

Utilization of Canonical Transformations for the Vibronic Self-Energies of Coupled Impurity Centers

1973 ◽  
Vol 28 (11) ◽  
pp. 1782-1786 ◽  
Author(s):  
N. N. Kristoffel ◽  
E. Sigmund ◽  
M. Wagner
Keyword(s):  
Green’S Function ◽  
Green's Function ◽  
Simple Form ◽  
Function Method ◽  
Second Order ◽  
The Self ◽  
Canonical Transformations ◽  
Green’S Function Method ◽  
Non Linear ◽  
Impurity Centers

The self-energies of a system of two electronically coupled impurity centers, one of which inter-acts with the vibrations of the surrounding crystal (Fano system), are derived by use of non-linear canonical transformations. The regions of applicability of this method are discussed and the results compared with those derived by Green’s function techniques in an earlier paper of one of the authors (N. N. K.). The self-energies calculated up to second order have a very simple form and exhibit the correct behaviour also in regions where the results of the Green’s function method are no longer valid.

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