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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 114, 2016 - Issue 7-8: Special Issue in honour of Andreas Savin
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Development and Application of Electronic-Structure Methods

Role of the ward identity and relevance of the G0W0 approximation in normal and superconducting states

Pages 1041-1049 | Received 01 Oct 2015, Accepted 27 Nov 2015, Published online: 08 Jan 2016
 

ABSTRACT

On the basis of the self-consistent calculation scheme for the electron self-energy Σ with the use of the three-point vertex function Γ always satisfying the Ward identity, we find that the obtained quasi-particle dispersion in the normal state in gapped systems, such as semiconductors, insulators, and molecules, is well reproduced by that in the one-shot GW (or G0W0) approximation. In calculating the superconducting transition temperature Tc, we also find a similar situation; the result for Tc in the gauge-invariant self-consistent framework including the effect of Γ satisfying the Ward identity is different from that in the conventional Eliashberg theory (which amounts to the GW approximation for superconductivity) but is close to that in the G0W0 approximation. Those facts indicate that the G0W0 approximation actually takes proper account of both vertex and high-order self-energy corrections in a mutually cancelling manner and thus we can understand that the G0W0 approximation is better than the fully self-consistent GW one in obtaining some of physical quantities.

GRAPHICAL ABSTRACT

Acknowledgements

Y. Takada thanks H. Maebashi and S. Ishii for valuable discussions for the result in the normal state.

Disclosure statement

No potential conflict of interest was reported by the author.

Additional information

Funding

Ministry of Education, Culture, Sports, Science, and Technology (MEXT), Japan: Innovative Area ‘Materials Design through Computics: Complex Correlation and Non-Equilibrium Dynamics [grant number 22104011]

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