2019/03/14 by Andreas Irmler, Felix Hummel, Andreas Grüneis · 2 citations
Physics and Astronomy · #cond-mat.mtrl-sci #physics.chem-ph
paper · pdf · doi:10.1103/physrevlett.123.156401
published as Phys. Rev. Lett. 123, 156401 (2019) · 6 pages, 2 figures, 1 table
arxiv created 2019/03/14 · arxiv updated 2019/10/16
We present a diagrammatic decomposition of the transition pair correlation function for the uniform electron gas. We demonstrate explicitly that ring and ladder diagrams are dual counterparts that capture significant long- and short-ranged interelectronic correlation effects, respectively. Our findings help to guide the further development of approximate many-electron theories and reveal that the contribution of the ladder diagrams to the electronic correlation energy can be approximated in an effective manner using second-order perturbation theory. We employ the latter approximation to reduce the computational cost of coupled cluster theory calculations for insulators and semiconductors by two orders of magnitude without compromising accuracy.