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The good performance of the GW approximation for band-structure calculations in solids was long taken as a sign that the sum of self-energy diagrams is converged and that all omitted terms are small. However, with modern computational…

Materials Science · Physics 2007-05-23 Arno Schindlmayr

The $GW$ approximation is based on the neglect of vertex corrections, which appear in the exact self-energy and the exact polarizability. Here, we investigate the importance of vertex corrections in the polarizability only. We calculate the…

Materials Science · Physics 2019-04-16 Alan M. Lewis , Timothy C. Berkelbach

The band gaps of a few selected semiconductors/insulators are obtained from the self-consistent solution of the Hedin's equations. Two different schemes to include the vertex corrections are studied: (i) the vertex function of the…

Strongly Correlated Electrons · Physics 2017-05-17 Andrey L. Kutepov

The parquet formalism and Hedin's $GW\gamma$ approach are unified into a single theory of vertex corrections, corresponding to an exact reformulation of the parquet equations in terms of boson exchange. The method has no drawbacks compared…

Strongly Correlated Electrons · Physics 2021-02-25 Friedrich Krien , Anna Kauch , Karsten Held

The $GW$ approximation has recently gained increasing attention as a viable method for the computation of deep core-level binding energies as measured by X-ray photoelectron spectroscopy (XPS). We present a comprehensive benchmark study of…

Chemical Physics · Physics 2022-06-14 Jiachen Li , Ye Jin , Patrick Rinke , Weitao Yang , Dorothea Golze

Historically, the GW approach was put forward by Hedin as the simplest approximation to the so-called Hedin equations. In Section 2, we will derive these Hedin equations from a Feynman-diagrammatical point of view. Section 3.1 shows how GW…

Materials Science · Physics 2011-09-20 K. Held , C. Taranto , G. Rohringer , A. Toschi

In many-body perturbation theory (MBPT) the self-energy \Sigma=iGW\Gamma plays the key role since it contains all the many body effects of the system. The exact self-energy is not known; as first approximation one can set the vertex…

Strongly Correlated Electrons · Physics 2012-04-23 Pina Romaniello , Friedhelm Bechstedt , Lucia Reining

We present a detailed account of the GW space-time method. The method increases the size of systems whose electronic structure can be studied with a computational implementation of Hedin's GW approximation. At the heart of the method is a…

Condensed Matter · Physics 2009-10-31 M. M. Rieger , L. Steinbeck , I. D. White , H. N. Rojas , R. W. Godby

Electron correlation in finite and extended systems is often described in an effective single-particle framework within the $GW$ approximation. Here, we use the statically screened second-order exchange contribution to the self-energy…

Chemical Physics · Physics 2022-03-18 Arno Förster , Lucas Visscher

A novel self-consistent implementation of Hedin's GW perturbation theory is introduced. This finite-temperature method uses Hartree-Fock wave functions to represent Green's function. GW equations are solved with full potential linear…

Strongly Correlated Electrons · Physics 2015-05-13 Andrey Kutepov , Sergey Yu. Savrasov , Gabriel Kotliar

With the aim of identifying universal trends, we compare fully self-consistent electronic spectra and total energies obtained from the GW approximation with those from an extended GWGamma scheme that includes a nontrivial vertex function…

Materials Science · Physics 2007-05-23 Arno Schindlmayr , Thomas J. Pollehn , R. W. Godby

Based on an exact functional form derived for the three-point vertex function $\Gamma$, we propose a self-consistent calculation scheme for the electron self-energy with $\Gamma$ always satisfying the Ward identity. This scheme is basically…

Materials Science · Physics 2010-05-11 Soh Ishii , Hideaki Maebashi , Yasutami Takada

The magnon Hedin's equations are derived via the Schwinger functional derivative technique, and the resulting self-consistent Green's function method is used to calculate ground state spin patterns and magnetic structure factors for…

Strongly Correlated Electrons · Physics 2022-11-30 Zhen Zhao , Claudio Verdozzi , Ferdi Aryasetiawan

We show that the equations underlying the $GW$ approximation have a large number of solutions. This raises the question: which is the physical solution? We provide two theorems which explain why the methods currently in use do, in fact,…

Strongly Correlated Electrons · Physics 2015-09-16 F. Tandetzky , J. K. Dewhurst , S. Sharma , E. K. U. Gross

We develop an analytical expression for the self-energy of the infinite-dimensional Hubbard model that is correct in a number of different limits. The approach represents a generalization of the iterative perturbation theory to arbitrary…

Strongly Correlated Electrons · Physics 2009-10-30 M. Potthoff , T. Wegner , W. Nolting

Despite recent advances, systematic quantitative treatment of the electron correlation problem in extended systems remains a formidable task. Systematically improvable Green's function methods capable of quantitatively describing weak and…

Chemical Physics · Physics 2016-11-15 Alexander A. Rusakov , Dominika Zgid

The approximate solution of Bohr-Mottelson Hamiltonian in rigid deformed nucleus case for Hulthen potential with minimal length effect was investigated using Asymptotic Iteration Method. Asymptotic Iteration Method was used to solve…

Nuclear Theory · Physics 2017-12-06 Isnaini Lilis Elviyanti , A Suparmi , C Cari

A practical electronic structure method in which a two-body functional is the fundamental variable is constructed. The basic formalism of our method is equivalent to Hartree-Fock density matrix functional theory [M. Levy in {\it Density…

Other Condensed Matter · Physics 2008-04-23 Balazs Hetenyi , Andreas W. Hauser

We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditional Gutzwiller approximation for one-particle operators to…

Strongly Correlated Electrons · Physics 2014-07-01 Y. X. Yao , J. Liu , C. Liu , W. C. Lu , C. Z. Wang , K. M. Ho

The sine(sinh)-Gordon hierarchy of integrable Hamiltonian systems is described in detail, and all dynamic variables are expressed in terms of the $\wp$-functions that uniformize the associated spectral curve. Quasi-periodic solutions to the…

Exactly Solvable and Integrable Systems · Physics 2026-04-28 Julia Bernatska