Related papers: Strong coupling quantum impurity solver on the rea…
The Fermi polaron problem, which describes a mobile impurity that interacts with a spin-polarized Fermi sea, is a paradigmatic system in quantum many-body physics and has been challenging to address quantitatively in its strong coupling…
The quantum Monte Carlo methods represent a powerful and broadly applicable computational tool for finding very accurate solutions of the stationary Schroedinger equation for atoms, molecules, solids and a variety of model systems. The…
We perform large-scale Quantum Monte Carlo (QMC) simulations for strongly interacting bosons in a 2D optical lattice trap, and confirm an excellent agreement with the benchmarking in-situ density measurements by the Chicago group [1]. We…
The density matrix quantum Monte Carlo (DMQMC) set of methods stochastically samples the exact $N$-body density matrix for interacting electrons at finite temperature. We introduce a simple modification to the interaction picture DMQMC…
We present a quantum impurity solver based on a pseudo-particle framework, which combines diagrammatic resummations for a three-point vertex with diagrammatic Monte Carlo sampling of a four-point vertex. This recently proposed approach [A.…
A nonperturbative quantum impurity solver is proposed based on a formally exact hierarchical equations of motion (HEOM) formalism for open quantum systems. It leads to quantitatively accurate evaluation of physical properties of strongly…
We investigate the QCD phase diagram in the strong coupling limit by using a newly developed auxiliary field Monte-Carlo (AFMC) method. Starting from an effective action in the leading order of the 1/g^2 and 1/d expansion with one species…
Using an imaginary-time matrix-product state (MPS) based quantum impurity solver we perform a realistic dynamical mean-field theory (DMFT) calculation combined with density functional theory (DFT) for Sr$_2$RuO$_4$. We take the full…
We give a detailed comparison of the hierarchical quantum master equation (HQME) method to a continuous-time quantum Monte Carlo (CT-QMC) approach, assessing the usability of these numerically exact schemes as impurity solvers in practical…
We present an \textit{ab initio} auxiliary field quantum Monte Carlo method for studying the electronic structure of molecules, solids, and model Hamiltonians at finite temperature. The algorithm marries the \textit{ab initio} phaseless…
We investigate the attractive Hubbard model in infinite spatial dimensions by combining dynamical mean-field theory with a strong-coupling continuous-time quantum Monte Carlo method. By calculating the superfluid order parameter and the…
It is known that perturbative expansions in powers of the coupling in quantum mechanics (QM) and quantum field theory (QFT) are asymptotic series. This can be useful at weak coupling but fails at strong coupling. In this work, we present…
The Hamiltonian Monte Carlo (HMC) method allows sampling from continuous densities. Favorable scaling with dimension has led to wide adoption of HMC by the statistics community. Modern auto-differentiating software should allow more…
We employ dynamical mean field theory (DMFT) with a Quantum Monte Carlo (QMC) atomic solver to investigate the finite temperature Mott transition in the Hubbard model with the nearest neighbor hopping on a triangular lattice at…
Many experimentally-accessible, finite-sized interacting quantum systems are most appropriately described by the canonical ensemble of statistical mechanics. Conventional numerical simulation methods either approximate them as being coupled…
We introduce methodologies for highly scalable quantum Monte Carlo simulations of electron-phonon models, and report benchmark results for the Holstein model on the square lattice. The determinant quantum Monte Carlo (DQMC) method is a…
Recent successes in Monte Carlo methods for simulating fermionic quantum impurity models have been based on diagrammatic resummation techniques, but are restricted by the need to sum over factorially large classes of diagrams individually.…
We introduce a neural network impurity solver for real-frequency DMFT that employs a multihead cross-attention mechanism to map hybridization functions to spectral functions, conditioned on impurity parameters. Trained on high-quality MPS…
Dynamical mean-field theory allows access to the physics of strongly correlated materials with nontrivial orbital structure, but relies on the ability to solve auxiliary multi-orbital impurity problems. The most successful approaches to…
We investigate the dynamical mean-field theory (DMFT) from a quantum chemical perspective. Dynamical mean-field theory offers a formalism to extend quantum chemical methods for finite systems to infinite periodic problems within a local…