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Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…

Materials Science · Physics 2023-04-21 Martin-Isbjörn Trappe , William C. Witt , Sergei Manzhos

In this paper, we revisit the antiferromagnetic (AF) phase diagram of the single-band three-dimensional half-filled Hubbard model on a simple cubic lattice studied within the dynamical mean field theory (DMFT). Although this problem has…

Strongly Correlated Electrons · Physics 2022-01-05 Lorenzo Del Re , Georg Rohringer

The Suzuki-Trotter decomposition, which digitalizes quantum time evolution, provides a promising framework for simulating quantum dynamics on quantum hardware and exploring quantum advantage over classical computation. However, conventional…

Quantum Physics · Physics 2025-12-16 Bo Yang , Naoki Negishi

We present a real-frequency third-order strong-coupling impurity solver which employs quantics tensor cross interpolation (QTCI) for an efficient evaluation of the diagram weights. Applying the method to dynamical mean-field theory (DMFT)…

Strongly Correlated Electrons · Physics 2026-02-10 Lei Geng , Aaram J. Kim , Philipp Werner

Quantum error mitigation (QEM) has emerged as a powerful tool for the extraction of useful quantum information from quantum devices. Here, we introduce the Subspace Noise Tailoring (SNT) algorithm, which efficiently combines the cheap cost…

We present dynamical mean field theory (DMFT) results for the local spectral densities of the one- and two-particle response functions for the infinite dimensional Hubbard model in a magnetic field. We look at the different regimes…

Strongly Correlated Electrons · Physics 2009-11-13 J. Bauer , A. C. Hewson

Dissipative collective effects are ubiquitous in quantum physics, and their relevance ranges from the study of entanglement in biological systems to noise mitigation in quantum computers. Here, we put forward the first fully quantum…

Quantum field theory (QFT) simulations are a potentially important application for noisy intermediate scale quantum (NISQ) computers. The ability of a quantum computer to emulate a QFT, therefore, constitutes a natural application-centric…

The question if a Mott insulator and a band insulator are fundamentally different has been the matter of intensive research recently. Here we consider a simple model which allows by tuning one parameter to go continously from a Mott…

Strongly Correlated Electrons · Physics 2009-11-11 Andreas Fuhrmann , David Heilmann , Hartmut Monien

In spite of remarkable recent advances, quantum computers still lack useful applications. A promising direction for such utility is offered by the simulation of the dynamics of many-body quantum systems, which cannot be efficiently computed…

Quantum Physics · Physics 2025-02-20 Emanuele G. Dalla Torre , Mor M. Roses

Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…

Quantum Physics · Physics 2023-07-17 Taehee Ko , Xiantao Li , Chunhao Wang

In the pursuit of accurate descriptions of strongly correlated quantum many-body systems, dynamical mean-field theory (DMFT) has been an invaluable tool for elucidating the spectral properties and quantum phases of both phenomenological…

Strongly Correlated Electrons · Physics 2019-10-07 Carlos Mejuto-Zaera , Norm M. Tubman , K. Birgitta Whaley

Nonequilibrium dynamical mean-field theory (DMFT) is developed for the case of the charge-density-wave ordered phase. We consider the spinless Falicov-Kimball model which can be solved exactly. This strongly correlated system is then placed…

Strongly Correlated Electrons · Physics 2016-03-31 O. P. Matveev , A. M. Shvaika , T. P. Devereaux , J. K. Freericks

Quantum computers can efficiently simulate highly entangled quantum systems, offering a solution to challenges facing classical simulation of Quantum Field Theories (QFTs). This paper presents an alternative to traditional methods for…

Quantum Physics · Physics 2025-09-03 James Ingoldby , Michael Spannowsky , Timur Sypchenko , Simon Williams

We extend the nonequilibrium dynamical mean field (DMFT) formalism to inhomogeneous systems by adapting the "real-space" DMFT method to Keldysh Green's functions. Solving the coupled impurity problems using strong-coupling perturbation…

Strongly Correlated Electrons · Physics 2014-08-15 Martin Eckstein , Philipp Werner

The convergence to the self-consistency in the dynamical-mean-field-theory (DMFT) calculations for models of correlated electron systems can be significantly accelerated by using an appropriate mixing of hybridization functions which are…

Strongly Correlated Electrons · Physics 2009-11-11 Rok Zitko

The simulation of nuclear magnetic resonance (NMR) experiments is a notoriously difficult task, if many spins participate in the dynamics. The recently established dynamic mean-field theory for high-temperature spin systems (spinDMFT)…

Chemical Physics · Physics 2026-02-04 Timo Gräßer , Götz S. Uhrig

Quantum impurity solvers are the computational bottleneck of quantum embedding approaches to correlated materials, such as dynamical mean-field theory (DMFT). We show that neural networks trained on synthetic, material-agnostic data learn…

Strongly Correlated Electrons · Physics 2026-03-25 Agnes Valenti , Ina Park , Antoine Georges , Andrew J. Millis , Olivier Parcollet

The Dynamical Mean-Field theory (DMFT) approach to the Hubbard model requires a method to solve the problem of a quantum impurity in a bath of non-interacting electrons. Iterated Perturbation Theory (IPT) has proven its effectiveness as a…

Strongly Correlated Electrons · Physics 2013-05-30 Louis-Francois Arsenault , Patrick Semon , A. -M. S. Tremblay

The Dynamical Mean Field Theory (DMFT) is a powerful tool for calculating highly correlated systems (both bosonic and fermionic) in a state of thermodynamic equilibrium. However, in the case of non-equilibrium states, the method has…

Strongly Correlated Electrons · Physics 2023-11-07 A. Karpov , G. Sultanov , E. Polyakov , A. Rubtsov