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Quantum embedding approaches involve the self-consistent optimization of a local fragment of a strongly correlated system, entangled with the wider environment. The `energy-weighted' density matrix embedding theory (EwDMET) was established…

强关联电子 · 物理学 2021-02-23 P. V. Sriluckshmy , Max Nusspickel , Edoardo Fertitta , George H. Booth

The study of nonequilibrium phenomena in correlated lattice systems has developed into an active and exciting branch of condensed matter physics. This research field provides rich new insights that could not be obtained from the study of…

强关联电子 · 物理学 2014-07-11 Hideo Aoki , Naoto Tsuji , Martin Eckstein , Marcus Kollar , Takashi Oka , Philipp Werner

To analyze the physical properties arising from indirect magnetic exchange between several magnetic adatoms and between complex magnetic nanostructures on metallic surfaces, the real-space extension of dynamical mean-field theory (R-DMFT)…

强关联电子 · 物理学 2015-03-20 Irakli Titvinidze , Andrej Schwabe , Niklas Rother , Michael Potthoff

In [Phys. Rev. Lett. 128, 013001 (2022)] a novel ground state method was proposed. It has been suggested that this $i$-DMFT would be a method within one-particle reduced density matrix functional theory (DMFT), capable of describing…

量子物理 · 物理学 2022-02-14 Lexin Ding , Julia Liebert , Christian Schilling

Nonlocal correlations play an essential role in correlated electron systems, especially in the vicinity of phase transitions and crossovers, where two-particle correlation functions display a distinct momentum dependence. In nonequilibrium…

强关联电子 · 物理学 2023-06-29 Olivier Simard , Philipp Werner

A technique allowing for a perturbative treatment of nonlocal corrections to the single-site dynamical mean-field theory (DMFT) in finite dimensions is developed. It is based on the observation that in the case of strong electron…

强关联电子 · 物理学 2008-06-02 V. I. Tokar , R. Monnier

This review is devoted to generalization of dynamical mean-field theory (DMFT) for strongly correlated electronic systems towards the account of different types of additional interactions, necessary for correct physical description of many…

强关联电子 · 物理学 2015-05-30 E. Z. Kuchinskii , I. A. Nekrasov , M. V. Sadovskii

In this work, we study the extended Falicov-Kimball model at half-filling within the Hartree-Fock approach (HFA) (for various crystal lattices) and compare the results obtained with the rigorous ones derived within the dynamical mean field…

强关联电子 · 物理学 2020-11-17 Konrad Jerzy Kapcia , Romuald Lemański , Marcin Jakub Zygmunt

We develop a variational perturbation expansion around dynamical mean-field theory (DMFT) that systematically incorporates nonlocal correlations beyond the local correlations treated by DMFT. We apply this approach to investigate how the…

强关联电子 · 物理学 2025-10-24 Yueyi Wang , Kristjan Haule

This work continues a program to systematically generalize the Skyrme Hartree-Fock method for medium and heavy nuclei by applying effective field theory (EFT) methods to Kohn-Sham density functional theory (DFT). When conventional Kohn-Sham…

核理论 · 物理学 2007-05-23 Anirban Bhattacharyya , R. J. Furnstahl

The dynamical fluctuations in approaches such as dynamical mean-field theory (DMFT) allow for the self-consistent optimization of a local fragment, hybridized with a true correlated environment. We show that these correlated environmental…

强关联电子 · 物理学 2018-12-19 Edoardo Fertitta , George H. Booth

We generalize the dynamical-mean field (DMFT) approximation by including into the DMFT equations some length scale via a momentum dependent ``external'' self-energy S(k). This external self-energy describes non-local dynamical correlations…

强关联电子 · 物理学 2009-11-11 M. V. Sadovskii , I. A. Nekrasov , E. Z. Kuchinskii , Th. Pruschke , V. I. Anisimov

In their preprint Anders et al. [arXiv:1004.0510] propose a crucial modification of the Bosonic Dynamical Mean-Field Theory (B-DMFT) derived by us [Phys. Rev. B 77, 235106 (2008)]. Here we show that the modification consists of two steps…

强关联电子 · 物理学 2010-05-12 K. Byczuk , D. Vollhardt

Density functional theory (DFT) has transformed our ability to investigate and understand electronic ground states. In its original formulation, however, DFT is not suited to addressing (e.g.) degenerate ground states, mixed states with…

化学物理 · 物理学 2025-10-30 Tim Gould , Leeor Kronik , Stefano Pittalis

Mean-field theories have proven to be efficient tools for exploring diverse phases of matter, complementing alternative methods that are more precise but also more computationally demanding. Conventional mean-field theories often fall short…

强关联电子 · 物理学 2024-09-04 Junyi Zhang , Zhengqian Cheng

We propose a method for estimating smooth real-frequency self-energy in the dynamical mean-field theory with the finite-temperature exact diagonalization (DMFT-ED). One of the benefits of DMFT-ED calculations is that one can obtain…

强关联电子 · 物理学 2019-06-10 Yuki Nagai , Hiroshi Shinaoka

We present a time-domain iteration scheme for solving the Dynamical Mean-Field Theory (DMFT) self-consistent equations using retarded Green's functions in real time. Unlike conventional DMFT approaches that operate in imaginary time or…

强关联电子 · 物理学 2026-01-28 Chakradhar Rangi , Aadi Singh , Ka-Ming Tam

Ensemble Density Functional Theory (EDFT) is a generalization of ground-state Density Functional Theory (GS DFT), which is based on an exact formal theory of finite collections of a system's ground and excited states. EDFT in various forms…

材料科学 · 物理学 2024-08-27 Remi J. Leano , Aurora Pribram-Jones , David A. Strubbe

We present a new method, ePT, for extrapolating few known coefficients of a perturbative expansion. Controlled by comparisons with numerically exact quantum Monte Carlo (QMC) results, 10th order strong-coupling perturbation theory (PT) for…

强关联电子 · 物理学 2007-05-23 N. Blümer , E. Kalinowski

This work reports a theoretical framework that combines the auxiliary coherent potential approximation (ACPA-DMFT) with dynamical mean-field theory to study strongly correlated and disordered electronic systems with both diagonal and…

强关联电子 · 物理学 2025-02-12 Zelei Zhang , Jiawei Yan , Li Huang , Youqi Ke