Related papers: Finite temperature density matrix embedding theory
A general method for numerical computation of the thermal density matrix of a single-particle quantum system is presented. The Schrodinger equation in imaginary time tau is solved numerically by the finite difference time domain (FDTD)…
Density Functional Theory (DFT) is widely used for atomistic simulations. However, its reach stays limited due to several limitations such as lack of accurate exchange-correlation functional, requirement of costly O(N 3) diagonalization…
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…
A novel approach to the Hamiltonian formulation of quantum field theory at finite temperature is presented. The temperature is introduced by compactification of a spatial dimension. The whole finite-temperature theory is encoded in the…
We have studied finite-sized single band Hubbard chains with Fibonacci modulation for half filling within a mean field approximation. The ground state properties, together with the dc conductivity both at zero and non-zero temperatures, are…
The finite-temperature phase diagram of the Hubbard model in $d=3$ is obtained from renormalization-group analysis. It exhibits, around half filling, an antiferromagnetic phase and, between 30%--40% electron or hole doping from half…
We implement the recently developed influence functional matrix product states approach as impurity solver in equilibrium and nonequilibrium dynamical mean field theory (DMFT) calculations of the single-band Hubbard model. The method yields…
Site-occupation embedding theory (SOET) is a density-functional theory (DFT)-based method which aims at modelling strongly correlated electrons. It is in principle exact and applicable to model and quantum chemical Hamiltonians. The theory…
Preparing quantum thermal states on a quantum computer is in general a difficult task. We provide a procedure to prepare a thermal state on a quantum computer with a logarithmic depth circuit of local quantum channels assuming that the…
We apply a generalization of the time-dependent DMRG to study finite temperature properties of several quantum spin chains, including the frustrated $J_1-J_2$ model. We discuss several practical issues with the method, including use of…
It is shown that a minimum realization of the dynamical mean-field theory (DMFT) can be achieved by mapping a correlated lattice model onto an impurity model in which the impurity is coupled to an uncorrelated bath that consists of a single…
Using numerically exact methods we examine the Fermi-Hubbard model on arbitrary cluster topology. We focus on the question which systems eventually equilibrate or even thermalize after an interaction quench when initially prepared in a…
We study finite-temperature magnetization transport in a one-dimensional anisotropic Heisenberg model, focusing in particular on the gapped phase. Using numerical simulations by two different methods, a propagation of localized wavepackets…
Ensemble Density Functional Theory (EDFT) is a generalization of ground-state Density Functional Theory (GS DFT), which is based on an exact formal theory of finite collections of a system's ground and excited states. EDFT in various forms…
We study finite-temperature properties of strongly interacting fermions in the honeycomb lattice using numerical linked-cluster expansions and determinantal quantum Monte Carlo simulations. We analyze a number of thermodynamic quantities,…
In present paper the Quantum Electrodynamics theory at finite temperatures for the bound states is presented. To describe the thermal effects arising in a heat bath the Hadamard form of thermal photon propagator is employed. This form…
Finite-temperature calculations are relevant for rationalizing material properties yet they are computationally expensive because large system sizes or long simulation times are typically required. Circumventing the need for performing many…
It is by now well-known that ground states of gapped one-dimensional (1d) quantum-many body systems with short-range interactions can be studied efficiently using classical computers and matrix product state techniques. A corresponding…
We study the current, the curvature of levels, and the finite temperature charge stiffness, D(T,L), in the strongly correlated limit, U>>t, for Hubbard rings of L sites, with U the on-site Coulomb repulsion and t the hopping integral. Our…
Quantum embedding methods have become a powerful tool to overcome deficiencies of traditional quantum modelling in materials science. However, while these are systematically improvable in principle, in practice it is rarely possible to…