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相关论文: Self-consistent treatment of dynamical correlation…

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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…

化学物理 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

化学物理 · 物理学 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…

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…

材料科学 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

超导电性 · 物理学 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…

强关联电子 · 物理学 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…

化学物理 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

强关联电子 · 物理学 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…

凝聚态物理 · 物理学 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…

化学物理 · 物理学 2026-05-05 Adam Prada , Eszter S. Pós , Stuart C. Althorpe