Related papers: Finite temperature density matrix embedding theory
Site-occupation embedding theory (SOET) is an alternative formulation of density-functional theory (DFT) for model Hamiltonians where the fully-interacting Hubbard problem is mapped, in principle exactly, onto an impurity-interacting…
We employ the numerical linked-cluster expansion to study finite-temperature properties of the uniform cubic lattice Hubbard model in the thermodynamic limit for a wide range of interaction strengths and densities. We carry out the…
Accurate and reliable algorithms to solve complex impurity problems are instrumental to a routine use of quantum embedding methods for material discovery. In this context, we employ an efficient selected configuration interaction impurity…
Inspired by recent results in the context of AdS/CFT integrability, we reconsider the Thermodynamic Bethe Ansatz equations describing the 1D fermionic Hubbard model at finite temperature. We prove that the infinite set of TBA equations are…
In recent years, a method for computing spin dynamics at infinite temperature (spinDMFT) was developed. It utilizes the ideas of dynamical mean-field theory for fermions: single-site approximation and a self-consistency condition to…
In this work, we develop a generalisation of the thermal entropy to complex inverse temperatures, which we call the thermal pseudo-entropy. We show that this quantity represents the pseudo-entropy of the transition matrix between…
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 study the second order finite temperature Mott transition point in the fully frustrated Hubbard model at half filling, within Dynamical Mean Field Theory. Using quantum Monte Carlo simulations we show the existence of a finite…
In these notes I explain how to describe one-dimensional quantum systems that are simultaneously near to, but not exactly at, a critical point, and in a far-from-equilibrium steady state. This description uses a density matrix on scattering…
The density matrix renormalization group is one of the most powerful numerical methods for computing ground-state properties of two-dimensional (2D) quantum lattice systems. Here we show its finite-temperature extensions are also viable for…
The classical Density Functional Theory (DFT) is introduced as an application of entropic inference for inhomogeneous fluids at thermal equilibrium. It is shown that entropic inference reproduces the variational principle of DFT when…
The dynamical mean-field theory (DMFT) is employed to study the Mott transition in the semi-infinite Hubbard model at half-filling and zero temperature. We consider the low-index surfaces of the three-dimensional simple-cubic lattice and…
We study the thermodynamics of the one-dimensional extended Hubbard model at half-filling using a density-matrix renormalization group method applied to transfer matrices. We show that the various phase transitions in this system can be…
We study the dynamical response of the half-filled one-dimensional(1d) Hubbard model for a range of interaction strengths $U$ and temperatures $T$ by a combination of numerical and analytical techniques. Using time-dependent density matrix…
We propose new quantum algorithms for thermal and ground state preparation based on system-bath interactions. These algorithms require only forward evolution under a system-bath Hamiltonian in which the bath is a single reusable ancilla…
The last decade has seen a large increase in the number of electronic-structure calculations that involve adding a Hubbard term to the local density approximation band-structure Hamiltonian. The Hubbard term is then solved either at the…
We exploit exact inequalities that refer to the entropy of a distribution to derive a simple variational principle at finite temperature for trial density matrices of Gutzwiller and Jastrow type. We use the result to extend at finite…
We present an efficient method to solve the impurity Hamiltonians involved in Dynamical Mean-Field Theory at low but finite temperature, based on the extension of the Lanczos algorithm from ground state properties alone to excited states.…
We study the electron-hole pair (or excitonic) condensation in the extended Falicov-Kimball model at finite temperatures based on the cluster mean-field-theory approach, where we make the grand canonical exact-diagonalization analysis of…
We consider a Mott transition of the Hubbard model in infinite dimensions. The dynamical mean- field theory is employed in combination with a continuous-time quantum Monte Carlo (CTQMC) method for an accurate description at low…