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Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it remains exceedingly difficult when using zero-temperature…

Chemical Physics · Physics 2016-11-24 Alicia Rae Welden , Alexander A. Rusakov , Dominika Zgid

Analytical results on the correlation functions of strongly correlated many-body systems are rare in the literature and their importance cannot be overstated. We present determinant representations for the space-, time-, and…

Strongly Correlated Electrons · Physics 2024-11-12 Ovidiu I. Patu , Andreas Klumper , Angela Foerster

Transport properties of strongly correlated quantum systems are of central interest in condensed matter, ultracold atoms and in dense plasmas. There, the proper treatment of strong correlations poses a great challenge to theory. Here, we…

Strongly Correlated Electrons · Physics 2015-03-06 M. Bonitz , N. Schluenzen , S. Hermanns

An investigation is presented of the utility of semiclassical approximations for solving the quantum-impurity problems arising in the dynamical-mean-field approach to the correlated-electron models. The method is based on performing a exact…

Strongly Correlated Electrons · Physics 2009-11-11 Satoshi Okamoto , Andreas Fuhrmann , Armin Comanac , Andrew J. Millis

Finite-temperature quantum field theories are formulated in terms of Green's functions and self-energies on the Matsubara axis. In multi-orbital systems, these quantities are related to positive semidefinite matrix-valued functions of the…

Strongly Correlated Electrons · Physics 2021-10-13 Jiani Fei , Chia-Nan Yeh , Dominika Zgid , Emanuel Gull

A self-consistent calculation scheme for correlated electron systems is created based on the density-functional theory (DFT). Our scheme is a multi-reference DFT (MR-DFT) calculation in which the electron charge density is reproduced by an…

Strongly Correlated Electrons · Physics 2009-11-13 Koichi Kusakabe , Naoshi Suzuki , Shusuke Yamanaka , Kizashi Yamaguchi

We present a generalized dynamical mean-field approach for the nonequilibrium physics of a strongly correlated system in the presence of a time-dependent external field. The Keldysh Green's function formalism is used to study the…

Strongly Correlated Electrons · Physics 2007-05-23 P. Schmidt , H. Monien

Measuring the vibronic spectrum probes dynamical processes in molecular systems. When interpreted via suitable theoretical tools, the experimental data provides comprehensive information about the system in question. For complex many-body…

Chemical Physics · Physics 2018-12-05 Sven Karsten , Sergei D. Ivanov , Sergey I. Bokarev , Oliver Kühn

The single particle Green's function provides valuable information on the momentum and energy-resolved spectral properties for a strongly correlated system. In large-scale numerical calculations using quantum Monte Carlo (QMC), dynamical…

Strongly Correlated Electrons · Physics 2024-10-01 Maksymilian Kliczkowski , Lauren Keyes , Sayantan Roy , Thereza Paiva , Mohit Randeria , Nandini Trivedi , Maciej M. Maska

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

A microscopic theory for electronic spectrum of the CuO2 plane within an effective p-d Hubbard model is proposed. Dyson equation for the one-electron Green function in terms of the Hubbard operators is derived which is solved…

Strongly Correlated Electrons · Physics 2009-11-11 N. Plakida , V. Oudovenko

We have implemented the dynamical vertex approximation (D$\Gamma$A) in its full parquet-based version to include spatial correlations on all length scales and in {\sl all} scattering channels. The algorithm is applied to study the…

Strongly Correlated Electrons · Physics 2015-06-23 A. Valli , T. Schäfer , P. Thunström , G. Rohringer , S. Andergassen , G. Sangiovanni , K. Held , A. Toschi

The Green function (GF) equation of motion technique for solving the effective two-band Hubbard model of high-T_c superconductivity in cuprates [N.M. Plakida et al., Phys. Rev. B, v. 51, 16599 (1995); JETP, v. 97, 331 (2003)] rests on the…

Superconductivity · Physics 2009-11-13 Gh. Adam , S. Adam

The ill-posed analytic continuation problem for Green's functions or self-energies can be done using the Pad\'e rational polynomial approximation. However, to extract accurate results from this approximation, high precision input data of…

Strongly Correlated Electrons · Physics 2017-06-28 Xing-Jie Han , Hai-Jun Liao , Hai-Dong Xie , Rui-Zhen Huang , Zi Yang Meng , Tao Xiang

The second-order Matsubara Green's function method (GF2) is a robust temperature dependent quantum chemistry approach, extending beyond the random-phase approximation. However, till now the scope of GF2 applications was quite limited as…

Chemical Physics · Physics 2017-09-20 Daniel Neuhauser , Roi Baer , Dominika Zgid

We propose a formalism to take account of the correction of the spatial fluctuations to the local self-energy obtained by the dynamical mean-field approximation. For this purpose, the approximate dynamical susceptibility in the framework of…

Strongly Correlated Electrons · Physics 2009-11-11 Hiroaki Kusunose

We propose a new approach to the self-consistency equation, which arises in the problem of the motion of a hole in a quantum antiferromagnet, appropriate to the case of small exchange energy $J$. The functional equation for the Green…

Strongly Correlated Electrons · Physics 2007-05-23 Ekaterina Grancharova

We present the Composite Operator Method (COM) as a modern approach to the study of strongly correlated electronic systems, based on the equation of motion and Green's function method. COM uses propagators of composite operators as building…

Strongly Correlated Electrons · Physics 2007-07-27 Ferdinando Mancini , Adolfo Avella

We present a massively parallel algorithm for calculating the self-energy in self-consistent finite temperature perturbation theory for lattice models. The algorithm uses analytic functions with appropriate asymptotic high frequency…

Condensed Matter · Physics 2007-05-23 J. J. Deisz , D. W. Hess , J. W. Serene

Matsubara dynamics is the classical dynamics which results when imaginary-time path-integrals are smoothed; it conserves the quantum Boltzmann distribution and appears in drastically approximated form in path-integral dynamics methods such…

Chemical Physics · Physics 2026-05-05 Adam Prada , Eszter S. Pós , Stuart C. Althorpe