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GW Vertex Corrected Calculations for Molecular Systems.
Journal of Chemical Theory and Computation 2017 October 11
Hedin's scheme is solved with the inclusion of the vertex function (GWΓ) for a set of small molecules. The computational scheme allows for the consistent inclusion of the vertex both at the polarizability level and in the self-energy. A diagrammatic analysis shows that the self-energy formed with this four-point vertex does not lead to double counting of diagrams, that can be classified as direct "bubbles" and exchange diagrams. By removing the exchange diagrams from the self-energy, a simpler approximation is obtained, called GWtc-tc . Very good agreement with expensive wave function-based methods is obtained for both approximations.
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