Downfolded Self-Energy of Many-Electron Systems

F. Aryasetiawan, J. M. Tomczak, T. Miyake, and R. Sakuma
Phys. Rev. Lett. 102, 176402 – Published 30 April 2009

Abstract

Starting from the full many-body Hamiltonian of interacting electrons the effective self-energy acting on electrons residing in a subspace of the full Hilbert space is derived. This subspace may correspond to, for example, partially filled narrow bands, which often characterize strongly correlated materials. The formalism delivers naturally the frequency-dependent effective interaction (the Hubbard U) and provides a general framework for constructing theoretical models based on the Green’s function language. It also furnishes a general scheme for first-principles calculations of complex systems in which the main correlation effects are concentrated on a small subspace of the full Hilbert space.

  • Received 14 June 2008

DOI:https://doi.org/10.1103/PhysRevLett.102.176402

©2009 American Physical Society

Authors & Affiliations

F. Aryasetiawan1,2,3, J. M. Tomczak2,3, T. Miyake2,3, and R. Sakuma1,3

  • 1Graduate School of Advanced Integration Science, Chiba University, 1-33 Yayoi-cho, Inage-ku, Chiba-shi, Chiba, 263-8522 Japan
  • 2Research Institute for Computational Sciences, AIST, 1-1-1 Umezono, Tsukuba Central 2, Tsukuba-shi, Ibaraki, 305-8568 Japan
  • 3Japan Science and Technology Agency, CREST, 4-1-8 Honcho, Kawaguchi-shi, Saitama, 332-0012 Japan

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Issue

Vol. 102, Iss. 17 — 1 May 2009

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