Fock-Space Embedding Theory: Application to Strongly Correlated Topological Phases

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Abstract

A many-body wave function can be factorized in Fock space into a marginal amplitude describing a set of strongly correlated orbitals and a conditional amplitude for the remaining weakly correlated part. The marginal amplitude is the solution of a Schrödinger equation with an effective Hamiltonian that can be viewed as embedding the marginal wave function in the environment of weakly correlated electrons. Here, the complementary equation for the conditional amplitude is replaced by a generalized Kohn-Sham equation, for which an orbital-dependent functional approximation is shown to reproduce the topological phase diagram of a multiband Hubbard model as a function of crystal field and Hubbard parameters. The roles of band filling and interband fluctuations are elucidated.

Original languageAmerican English
Article number116401
JournalPhysical Review Letters
Volume127
Issue number11
DOIs
StatePublished - 10 Sep 2021

Bibliographical note

Publisher Copyright:
© 2021 authors. Published by the American Physical Society.

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