Berlin 2024 – wissenschaftliches Programm
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O: Fachverband Oberflächenphysik
O 82: Electronic Structure Theory I
O 82.7: Vortrag
Donnerstag, 21. März 2024, 12:00–12:15, MA 043
Algorithmic inversion on sum over poles to embed interacting many-body systems — •Alessandro Carbone1, Tommaso Chiarotti1, Massimo Capone2, and Nicola Marzari1,3 — 1École Polytechnique Fédérale de Lausanne, 1015 Lausanne, Switzerland — 2International School for Advanced Studies (SISSA), via Bonomea 265, 34136 Trieste, Italy — 3Paul Scherrer Institut, 5232 Villigen, PSI, Switzerland
Quantum embedding methods are powerful techniques to study interacting correlated electrons beyond mean-field theories. An established approach is dynamical mean-field theory, which tackles the problem by mapping the strongly correlated electrons into an Anderson impurity model. Here, we explore a different avenue to solve Dyson-like equations at T=0K — the algorithmic inversion on sum over poles — providing an embedding formulation on the real axis. We first discuss the analytical derivation of the method and compare it with an exact diagonalization of the Anderson model. We then test this solver on a one-dimensional Hubbard ring in a self-consistent framework, and conclude discussing applications to general many-body Hamiltonians and other quantum embedding strategies.
Keywords: Quantum embedding; Many-body theory; Anderson impurity model