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We apply the quasi-particle self-consistent GW (QSGW) approximation to some of the iron pnictide and chalcogenide superconductors. We compute Fermi surfaces and density of states, and find excellent agreement with experiment, substantially…

Strongly Correlated Electrons · Physics 2012-12-19 Jan M. Tomczak , M. van Schilfgaarde , G. Kotliar

The performance of many-body perturbation theory for calculating ground-state properties is investigated. We present fully numerical results for the electron gas in three and two dimensions in the framework of the GW approximation. The…

Condensed Matter · Physics 2009-10-31 P. Garcia-Gonzalez , R. W. Godby

Quantitative simulation of electronic structure of solids requires treating local and non-local electron correlations on an equal footing. We present a new ab initio formulation of Green's function embedding which, unlike dynamical…

Materials Science · Physics 2024-10-01 Jiachen Li , Tianyu Zhu

In principle, the Luttinger-Ward Green's function formalism allows one to compute simultaneously the total energy and the quasiparticle band structure of a many-body electronic system from first principles. We present approximate and exact…

Materials Science · Physics 2015-05-18 Sohrab Ismail-Beigi

The effect of electron-electron scattering on the equilibrium properties of few-electron quantum dots is investigated by means of nonequilibrium Green's functions theory. The ground and equilibrium state is self-consistently computed from…

Mesoscale and Nanoscale Physics · Physics 2013-05-29 K. Balzer , M. Bonitz , R. van Leeuwen , N. E. Dahlen , A. Stan

By introducing multipe-site correlation functions, we propose a hierarchical Green function approach, and apply it to study the characteristic properties of a 2D square lattice Hubbard model by solving the equation of motions of a…

Strongly Correlated Electrons · Physics 2018-09-26 Yu-Liang Liu

We compute the 3-point function of the stress-energy tensor in the d-dimensional CFT from the AdS_{d+1} gravity. For d=4 the coefficients of the three linearly independent conformally covariant forms entering the 3-point function are…

High Energy Physics - Theory · Physics 2016-08-25 G. Arutyunov , S. Frolov

Three-dimensional (3D) metals/semimetals under magnetic field have an instability toward a density wave (DW) ordering which breaks a translational symmetry along the field direction. Effective boson models for the DW phases take forms of XY…

Strongly Correlated Electrons · Physics 2017-05-10 Xiao-Tian Zhang , Ryuichi Shindou

We evaluate the one-particle and double-occupied Green functions for the Hubbard model at half-filling using the moment approach of Nolting. Our starting point is a self-energy, $\Sigma(\vec{k},\omega)$, which has a single pole,…

Condensed Matter · Physics 2016-08-15 S. Schafroth , J. J. Rodríguez-Núñez

Time-dependent quantum mechanics provides an intuitive picture of particle propagation in external fields. Semiclassical methods link the classical trajectories of particles with their quantum mechanical propagation. Many analytical results…

Mesoscale and Nanoscale Physics · Physics 2008-03-07 Tobias Kramer , Eric J. Heller , Robert E. Parrott

We describe an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias. Our method is…

Materials Science · Physics 2009-11-07 Mads Brandbyge , Jose-Luis Mozos , Pablo Ordejon , Jeremy Taylor , Kurt Stokbro

We consider a reformulation of QED in which covariant Green functions are used to solve for the electromagnetic field in terms of the fermion fields. It is shown that exact few-fermion eigenstates of the resulting Hamiltonian can be…

Nuclear Theory · Physics 2010-11-26 Jurij W. Darewych , Askold Duviryak

While second-order phase transitions always cause strong non-local fluctuations, their effect on spectral properties crucially depends on the dimensionality. For the important case of three dimensions, we show that the electron self-energy…

Strongly Correlated Electrons · Physics 2015-03-18 T. Schäfer , A. Toschi , Jan M. Tomczak

A simple model of noninteracting electrons with a separable one-body potential is used to discuss the possible pole structure of single particle Green's functions for fermions on unphysical sheets in the complex frequency plane as a…

Strongly Correlated Electrons · Physics 2009-10-30 K. Schoenhammer

The non-equilibrium Green's function (NEGF) approach offers a practical framework for simulating various phenomena in mesoscopic systems. As the dimension of electronic devices shrinks to just a few nanometers, the need for new…

Mesoscale and Nanoscale Physics · Physics 2025-04-09 Vahid Mosallanejad , Kuei-Lin Chiu , Wenjie Dou

The two-time Green function method in quantum electrodynamics of high-Z few-electron atoms is described in detail. This method provides a simple procedure for deriving formulas for the energy shift of a single level and for the energies and…

Atomic Physics · Physics 2009-11-06 V. M. Shabaev

Hedin's $GW$ approximation to the electronic self-energy has been impressively successful to calculate quasiparticle energies, such as ionization potentials, electron affinities, or electronic band structures. The success of this fairly…

Chemical Physics · Physics 2024-10-31 Arno Förster , Fabien Bruneval

Self-consistent vertex corrected GW calculations have been performed to evaluate the equilibrium volume and corresponding bulk modulus of 3d transition metal vanadium. The study demonstrates the feasibility of this approach. The accuracy of…

Strongly Correlated Electrons · Physics 2018-10-10 Andrey L Kutepov

The self-energy, spectral functions and susceptibilities of 2D systems with strong ferromagnetic fluctuations are considered within the quasistatic approach. The self-energy at low temperatures T has a non-Fermi liquid form in the energy…

Strongly Correlated Electrons · Physics 2007-05-23 A. A. Katanin

For the computational prediction of core electron binding energies in solids, two distinct kinds of modelling strategies have been pursued: the $\Delta$-Self-Consistent-Field method based on density functional theory (DFT), and the GW…

Materials Science · Physics 2023-06-12 Juhan Matthias Kahk , Johannes Lischner
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