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We present an efficient and numerically stable algorithm for calculation of two-particle response functions within the dynamical mean-field theory. The technique is based on inferring the high frequency asymptotic behavior of the…

Strongly Correlated Electrons · Physics 2015-03-17 Jan Kunes

The dynamical mean field theory (DMFT) has become a standard technique for the study of strongly correlated models and materials overcoming some of the limitations of density functional approaches based on local approximations. An important…

Strongly Correlated Electrons · Physics 2015-10-28 K. Hallberg , D. J. García , Pablo S. Cornaglia , Jorge I. Facio , Y. Núñez-Fernández

The dual-fermion approach provides a formally exact prescription for calculating properties of a correlated electron system in terms of a diagrammatic expansion around dynamical mean-field theory (DMFT). Most practical implementations,…

Strongly Correlated Electrons · Physics 2017-08-02 Jan Gukelberger , Evgeny Kozik , Hartmut Hafermann

Estimating the local two-particle vertex functions, which are crucial for capturing the spatial fluctuation of the effective field beyond the single-site DMFT, is still challenging. In our previous work, we developed a computationally…

Strongly Correlated Electrons · Physics 2025-05-27 Ryota Mizuno , Kazuhiko Kuroki , Masayuki Ochi

Classical Density Functional Theory (DFT) is a statistical-mechanical framework to analyze fluids, which accounts for nanoscale fluid inhomogeneities and non-local intermolecular interactions. DFT can be applied to a wide range of…

Computational Engineering, Finance, and Science · Computer Science 2017-02-07 Andreas Nold , Benjamin D. Goddard , Peter Yatsyshin , Nikos Savva , Serafim Kalliadasis

Extensions of dynamical-mean-field-theory (DMFT) make use of quantum impurity models as non-perturbative and exactly solvable reference systems which are essential to treat the strong electronic correlations. Through the introduction of…

Strongly Correlated Electrons · Physics 2017-09-25 F. Krien , E. G. C. P. van Loon , H. Hafermann , J. Otsuki , M. I. Katsnelson , A. I. Lichtenstein

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…

Strongly Correlated Electrons · Physics 2019-06-10 Yuki Nagai , Hiroshi Shinaoka

The dynamical susceptibility of strongly correlated electronic systems can be calculated within the framework of the dynamical mean-field theory (DMFT). The required measurement of the four-point vertex of the auxiliary impurity model is…

Strongly Correlated Electrons · Physics 2019-06-06 Friedrich Krien

For treating correlated electronic systems on quantum computers, we propose a quantum-classical hybrid scheme for dynamical mean-field theory (DMFT). In the quantum part of the scheme, we use modified quantum phase estimation (QPE) circuits…

Mean-field treatment (MFT) is frequently applied to approximately predict the dynamics of quantum optics systems, to simplify the system Hamiltonian through neglecting certain modes that are driven strongly or couple weakly with other…

Quantum Physics · Physics 2023-12-19 Yue-Xun Huang , Ming Li , Zi-Jie Chen , Xu-Bo Zou , Guang-Can Guo , Chang-Ling Zou

We present an algorithm for solving the self-consistency equations of the dynamical mean-field theory (DMFT) with high precision and efficiency at low temperatures. In each DMFT iteration, the impurity problem is mapped to an auxiliary…

Strongly Correlated Electrons · Physics 2013-06-11 D. Rost , F. Assaad , N. Blümer

We present the effective action and self-consistency equations for the bosonic dynamical mean field (B-DMFT) approximation to the bosonic Hubbard model and show that it provides remarkably accurate phase diagrams and correlation functions.…

Strongly Correlated Electrons · Physics 2013-05-29 Peter Anders , Emanuel Gull , Lode Pollet , Matthias Troyer , Philipp Werner

The bold diagrammatic Monte Carlo (BDMC) method performs an unbiased sampling of Feynman's diagrammatic series using skeleton diagrams. For lattice models the efficiency of BDMC can be dramatically improved by incorporating dynamic…

Statistical Mechanics · Physics 2015-05-20 L. Pollet , N. V. Prokof'ev , B. V. Svistunov

Theoretical methods that are accurate for both short-distance observables and long-wavelength collective modes are still being developed for the Hubbard model. Here, we benchmark an approach that combines dynamical mean-field theory (DMFT)…

Strongly Correlated Electrons · Physics 2023-03-09 N. Martin , C. Gauvin-Ndiaye , A. -M. S. Tremblay

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…

Strongly Correlated Electrons · Physics 2014-07-11 Hideo Aoki , Naoto Tsuji , Martin Eckstein , Marcus Kollar , Takashi Oka , Philipp Werner

We employ the jackknife algorithm to analyze the propagation of the statistical quantum Monte Carlo error through the Bethe--Salpeter equation. This allows us to estimate the error of dynamical mean-field theory calculations of the…

Strongly Correlated Electrons · Physics 2020-08-14 Patrick Kappl , Markus Wallerberger , Josef Kaufmann , Matthias Pickem , Karsten Held

We present an accurate, efficient and massively parallel finite-element code, DFT-FE, for large-scale ab-initio calculations (reaching $\sim 100,000$ electrons) using Kohn-Sham density functional theory (DFT). DFT-FE is based on a local…

Computational Physics · Physics 2020-01-08 Phani Motamarri , Sambit Das , Shiva Rudraraju , Krishnendu Ghosh , Denis Davydov , Vikram Gavini

A simple scheme for avoiding non-spherical double counting in the combination of density func- tional theory with dynamical mean-field theory (DFT+DMFT)is developed. It is applied to total- energy calculations and structural optimization of…

Materials Science · Physics 2018-06-06 Oleg Kristanovski , Alexander Shick , Frank Lechermann , Alexander Lichtenstein

A new approach is proposed which encompasses the dynamical mean field theory (DMFT) for strongly correlated electron systems and the self-consistent renormalization (SCR) theory of spin fluctuations. The latter is incorporated into DMFT as…

Strongly Correlated Electrons · Physics 2009-10-31 Tetsuro Saso

Dynamical mean-field theory (DMFT) is one of the most standard theoretical frameworks for addressing strongly correlated electron systems. Meanwhile, the concept of holography, developed in the field of quantum gravity, provides an…

Strongly Correlated Electrons · Physics 2026-01-29 Kouichi Okunishi , Akihisa Koga