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Using quasiparticle self-consistent $GW$ calculations, we re-examined the electronic structure of Sr$_2$RuO$_4$ and SrRuO$_3$. Our calculations show that the correlation effects beyond the conventional LDA (local density approximation) and…

Strongly Correlated Electrons · Physics 2016-02-16 Hyeonsang Ryee , Seung Woo Jang , Hiori Kino , Takao Kotani , Myung Joon Han

We present quasiparticle (QP) energies from fully self-consistent $GW$ (sc$GW$) calculations for a set of prototypical semiconductors and insulators within the framework of the projector-augmented wave methodology. To obtain converged…

Materials Science · Physics 2018-10-31 Manuel Grumet , Peitao Liu , Merzuk Kaltak , Jiří Klimeš , Georg Kresse

We describe the following new features which significantly enhance the power of the recently developed real-space imaginary-time GW scheme (Rieger et al., Comp. Phys. Commun. 117, 211 (1999)) for the calculation of self-energies and related…

Condensed Matter · Physics 2009-10-31 L. Steinbeck , A. Rubio , L. Reining , M. Torrent , I. D. White , R. W. Godby

Ab initio GW calculations are a standard method for computing the spectroscopic properties of many materials. The most computationally expensive part in conventional implementations of the method is the generation and summation over the…

Materials Science · Physics 2015-06-11 Jack Deslippe , Georgy Samsonidze , Manish Jain , Marvin L. Cohen , Steven G. Louie

The GW approximation is a well-known method to improve electronic structure predictions calculated within density functional theory. In this work, we have implemented a computationally efficient GW approach that calculates central…

Hedin's scheme is solved with the inclusion of the vertex function ($GW\Gamma$) for a set of small molecules. The computational scheme allows for the consistent inclusion of the vertex both at the polarizability level and in the…

Materials Science · Physics 2017-08-17 Emanuele Maggio , Georg Kresse

We present an approach to calculate the electronic structure for a range of materials using the quasiparticle self-consistent GW method with vertex corrections included in the screened Coulomb interaction W. This is achieved by solving the…

Materials Science · Physics 2023-10-10 Brian Cunningham , Myrta Gruening , Dimitar Pashov , Mark van Schilfgaarde

The $GW$ approximation is a widely used framework for studying correlated materials, but it struggles with certain limitations, such as its inability to explain pseudogap phenomena. To overcome these problems, we propose a systematic…

Strongly Correlated Electrons · Physics 2024-09-26 Hui Li , Yingze Su , Junnian Xiong , Haiqing Lin , Huaqing Huang , Dingping Li

We present a comparison of various approximations to self-consistency in the GW method, including the one-shot G0W0 method, different quasiparticle self-consistency schemes, and the fully self-consistent GW (scGW) approach. To ensure an…

Strongly Correlated Electrons · Physics 2025-10-17 Gaurav Harsha , Vibin Abraham , Ming Wen , Dominika Zgid

We present a $GW$ space-time algorithm for periodic systems in a Gaussian basis including spin-orbit coupling. We employ lattice summation to compute the irreducible density response and the self-energy, while we employ $k$-point sampling…

Since the earliest implementations of the various GW approximations and cumulant expansion in the calculations of quasiparticle propagators and spectra, several attempts have been made to combine the advantageous properties and results of…

Materials Science · Physics 2016-08-03 Branko Gumhalter , Vjekoslav Kovač , Fabio Caruso , Henry Lambert , Feliciano Giustino

The analytic structure of the quark propagator in Minkowski space is more complex than in Euclidean space due to the possible existence of poles and branch cuts at timelike momenta. These singularities impose enormous complications on the…

High Energy Physics - Phenomenology · Physics 2019-07-24 E. L. Solis , C. S. R. Costa , V. V. Luiz , G. Krein

The detection of gravitational waves (GWs) propagating through cosmic structures can provide invaluable information on the geometry and content of our Universe, as well as on the fundamental theory of gravity. In order to test possible…

General Relativity and Quantum Cosmology · Physics 2020-11-25 Alice Garoffolo , Gianmassimo Tasinato , Carmelita Carbone , Daniele Bertacca , Sabino Matarrese

This paper analyses the GW method for finite electronic systems. In a first step, we provide a mathematical framework for the usual one-body operators that appear naturally in many-body perturbation theory. We then discuss the GW equations…

Mathematical Physics · Physics 2025-05-20 Eric Cancès , David Gontier , Gabriel Stoltz

This study examines how the GW approximation, one of the techniques covered by Green's functions and on many-body approximations (GFMBA), fares compared to the treatment of the Hubbard model solved using an exact diagonalization (ED)…

Strongly Correlated Electrons · Physics 2022-12-08 Antoine Honet , Luc Henrard , Vincent Meunier

The Gibbons-Werner (GW) method is a powerful approach in studying the gravitational deflection of particles moving in curved spacetimes. The application of the Gauss-Bonnet theorem (GBT) to integral regions constructed in a two-dimensional…

General Relativity and Quantum Cosmology · Physics 2024-01-11 Yang Huang , Zhoujian Cao , Zhenyan Lu

The $GW$ approach of many-body perturbation theory (MBPT) has become a common tool for calculating the electronic structure of materials. However, with increasing number of published results, discrepancies between the values obtained by…

Materials Science · Physics 2016-08-03 Dmitrii Nabok , Andris Gulans , Claudia Draxl

We investigate the wave effects of gravitational waves (GWs) using numerical simulations with the finite element method (FEM) based on the publicly available code {\it deal.ii}. We robustly test our code using a point source monochromatic…

General Relativity and Quantum Cosmology · Physics 2019-12-04 Jian-hua He

We show that quasiparticle (QP) energies as calculated in the $GW$ approximation converge to the wrong value using the projector augmented wave (PAW) method, since the overlap integrals between occupied orbitals and high energy, plane wave…

Materials Science · Physics 2014-08-20 Jiří Klimeš , Merzuk Kaltak , Georg Kresse

We calculate the Coulomb gauge temporal quark and gluon propagators in quenched QCD. From the temporal quark and gluon propagators, dispersion relations and quasiparticle masses are determined by means of the Maximum Entropy Method.

High Energy Physics - Lattice · Physics 2015-06-25 P. Petreczky , F. Karsch , E. Laermann , S. Stickan , I. Wetzorke