Related papers: Solving Dynamical Mean-Field Theory at very low te…
An impurity solver for the dynamical mean field (DMFT) study of the Mott insulators is proposed, which is based on the second order perturbation of the hybridization function. After carefully benchmarking it with Quantum Monte Carlo results…
The self-energy-functional approach proposed recently is applied to the single-band Hubbard model at half-filling to study the Mott-Hubbard metal-insulator transition within the most simple but non-trivial approximation. This leads to a…
The Lanczos process has been analytically and exactly carried out for the spin 1/2 isotropic XY chain in the thermodynamic limit, yielding a form for the Lanczos coefficient $\beta^2(s)$. This coefficient has a monotonic variation for real…
An efficient method for computing thermodynamic equilibrium states at the micromagnetic length scale is introduced, using the Markov chain Monte Carlo method. Trial moves include not only rotations of vectors, but also a change in their…
We apply the formally exact Diagrammatic Monte Carlo (DiagMC) method to probe the unprecedentedly low-temperature regime recently achieved in an ultracold-atom quantum simulation of the 2D Hubbard model [Xu et al., Nature 642, 909 (2025)].…
In this work we present a novel quantum Monte-Carlo method for fermions, based on an exact decomposition of the Boltzmann operator $exp(-\beta H)$. It can be seen as a synthesis of several related methods. It has the advantage that it is…
The dynamical mean-field concept of approximating an unsolvable many-body problem in terms of the solution of an auxiliary quantum impurity problem, introduced to study bulk materials with a continuous energy spectrum, is here extended to…
We derive the Bogoliubov+U formalism to study the thermodynamical properties of the Bose-Hubbard model. The framework can be viewed as the zero-frequency limit of bosonic dynamical mean-field theory (B-DMFT), but equally well as an…
Dynamical mean-field theory (DMFT) is a cornerstone technique for studying strongly correlated electronic systems. However, each DMFT step is computationally demanding, and many iterations can be required to achieve convergence. Here, we…
We introduce a tensor network method for approximating thermal equilibrium states of quantum many-body systems at low temperatures. Whereas the usual approach starts from infinite temperature and evolves the state in imaginary time (toward…
We consider the antiferromagnetic Heisenberg model and the repulsive Hubbard model for a class of frustrated lattices with a completely dispersionless (flat) lowest one-particle (either one-magnon or one-electron) band. We construct exact…
Dynamical mean-field theory (DMFT) is one of the most widely used theoretical methods for electronic structure calculations, providing self-consistent solutions even in low-temperature regimes, which are exact in the limit of infinite…
We take the Bose-Hubbard model to illustrate exact diagonalization techniques in a pedagogical way. We follow the road of first generating all the basis vectors, then setting up the Hamiltonian matrix with respect to this basis, and finally…
In the context of the dynamical mean field theory of the Hubbard model, we study the compressibility near the density driven Mott transition at finite temperatures. We demonstrate this divergence using dynamical mean field theory and…
We give an improved algorithm for learning a quantum Hamiltonian given copies of its Gibbs state, that can succeed at any temperature. Specifically, we improve over the work of Bakshi, Liu, Moitra, and Tang [BLMT24], by reducing the sample…
Lattice spin models in statistical physics are used to understand magnetism. Their Hamiltonians are a discrete form of a version of a Dirichlet energy, signifying a relationship to the Harmonic map heat flow equation. The Gibbs…
A density functional theory (DFT) approach to computing transition metal oxide heat of formation without adjustable parameters is presented. Different degrees of $d$-electron localization in oxides are treated within the DFT+$U$ approach…
Recent work found that an analysis formalism based on the Lanczos algorithm allows energy levels to be extracted from Euclidean correlation functions with faster ground-state convergence than effective masses, convergent estimators for…
We construct an effective low-energy Hamiltonian from the classical action via Monte Carlo with importance sampling. We use Monte Carlo (i) to compute matrix elements of the transition amplitude and (ii) to construct stochastically a basis.…
The two-dimensional (2D) Hubbard model has long attracted interest for its rich phase diagram and its relevance to high-$T_c$ superconductivity. However, reliable finite-temperature studies remain challenging due to the exponential…