2014/08/26 by Gianluca Stefanucci, G. Stefanucci, Y. Pavlyukh +4 · 4 citations
Engineering · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Combinatorics #Computer science #Diagrammatic reasoning #Electron #Mathematics #Molecular Junctions and Nanostructures #Physics #Quantum mechanics #Self-energy #Spectroscopy and Quantum Chemical Studies #Vertex (graph theory) #cond-mat.other
paper · pdf · doi:10.1103/physrevb.90.115134
published as Phys. Rev. B 90, 115134 (2014) · 19 pages, 19 figures
arxiv created 2014/08/26 · openalex publication_date 2014/09/22 · arxiv updated 2015/06/22 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
Hedin's G\phantom\rule00exW (G=Green's function, W=screened Coulomb interaction) approximation provides a solid ground for electronic structure first-principles calculations. It is becoming increasingly popular with new implementations appearing regularly in the literature, but little is done toward the fundamental theoretical development of the method. In this impressive theoretical work, the authors solve the long-standing problem of how to generate diagrammatic approximations to the Green's function with positive spectral properties. As a major application of the formalism, they go beyond the G\phantom\rule00exW approximation by including vertex corrections; they demonstrate the method on the example of homogeneous electron gas.