Related papers: A Tensor Train Continuous Time Solver for Quantum …
Dynamical mean-field theory (DMFT) is one of the most widely-used methods to treat accurately electron correlation effects in ab-initio real material calculations. Many modern large-scale implementations of DMFT in electronic structure…
Thermalizing and localized many-body quantum systems present two distinct dynamical phases of matter. Recently, the fate of a localized system coupled to a thermalizing system viewed as a quantum bath received significant theoretical and…
Dynamical mean-field theory (DMFT) is a useful tool to analyze models of strongly correlated fermions like the Hubbard model. In DMFT, the lattice of the model is replaced by a single impurity site embedded in an effective bath. The…
This paper lies in the intersection of several fields: number theory, lattice theory, multilinear algebra, and scientific computing. We adapt existing solution algorithms for tensor eigenvalue problems to the tensor-train framework. As an…
Recently solvers for the Anderson impurity model (AIM) working directly on the real-frequency axis have gained much interest. A simple and yet frequently used impurity solver is exact diagonalization (ED), which is based on a discretization…
We generalized the recently introduced new impurity solver based on the diagrammatic expansion around the atomic limit and Quantum Monte Carlo summation of the diagrams. We present generalization to the cluster of impurities, which is at…
One of the main open problems in the field of transport in strongly interacting nanostructures is the understanding of currents beyond the linear response regime. In this work, we consider the single-impurity Anderson model and use the…
An emergent numerical approach to solve quantum impurity problems is to encode the impurity path integral as a matrix product state. For time-dependent problems, the cost of this approach generally scales with the evolution time. Here we…
We study the dynamics of the quenched Anderson model at finite temperature using matrix product states. Exploiting a chain mapping for the electron bath, we investigate the entanglement structure in the MPS for various orderings of the two…
We describe a simple quantum mechanical method that can be used to obtain accurate numerical results over long time scales for the spin correlation tensor of an electron spin that is hyperfine coupled to a large number of nuclear spins.…
A new computational method for finite-temperature properties of strongly correlated electrons is proposed by extending the variational Monte Carlo method originally developed for the ground state. The method is based on the path integral in…
The Grassmann time-evolving matrix product operator (GTEMPO) method has proven to be an accurate and efficient numerical method for the real-time dynamics of quantum impurity problems. Whereas its application for imaginary-time calculations…
We use the time dependent variational matrix product state (tVMPS) approach to investigate the dynamical properties of the single impurity Anderson model (SIAM). Under the Jordan-Wigner transformation, the SIAM is reformulated into two…
Path integral Monte Carlo with Green's function analysis allows the sampling of quantum mechanical properties of molecules at finite temperature. While a high-precision computation of the energy of the Born-Oppenheimer surface from path…
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…
Based on the scheme of variational Monte Carlo sampling, we develop an accurate and efficient two-dimensional tensor-network algorithm to simulate quantum lattice models. We find that Monte Carlo sampling shows huge advantages in dealing…
Accurately evaluating configurational integrals for dense solids remains a central and difficult challenge in the statistical mechanics of condensed systems. Here, we present a novel tensor network approach that reformulates the…
In this work we present recent results on application of low-rank tensor decompositions to modelling of aggregation kinetics taking into account multi-particle collisions (for three and more particles). Such kinetics can be described by…
We present a method to study the time evolution of the single impurity Anderson model which exploits a mean field decoupling of the interacting impurity and the non-interacting bath (in form of a chain). This is achieved by the introduction…
We present a numerically exact steady-state inchworm Monte Carlo method for nonequilibrium quantum impurity models. Rather than propagating an initial state to long times, the method is directly formulated in the steady-state. This…