Related papers: Machine-learning semi-local density functional the…
We present a technique to compute the microcanonical thermodynamical properties of a manybody quantum system using tensor networks. The Density Of States (DOS), and more general spectral properties, are evaluated by means of a…
Machine learning thermodynamic perturbation theory (MLPT) is a promising approach to compute finite temperature properties when the goal is to compare several different levels of ab initio theory and/or to apply highly expensive…
In traditional thermodynamics, temperature is a local quantity: a subsystem of a large thermal system is in a thermal state at the same temperature as the original system. For strongly interacting systems, however, the locality of…
We analyze the Thermodynamic Bethe Ansatz equations of the one-dimensional half-filled Hubbard model in the "spin-disordered regime", which is characterized by the temperature being much larger than the magnetic energy scale but small…
A finite-temperature many-body perturbation theory is presented that expands in power series the electronic grand potential, chemical potential, internal energy, and entropy on an equal footing. Sum-over-states and sum-over-orbitals…
We use quantum Monte Carlo (QMC) simulations to study the combined effects of harmonic confinement and temperature for bosons in a two dimensional optical lattice. The scale invariant, finite temperature, state diagram is presented for the…
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…
Density functional theory has made great success in solid state physics, quantum chemistry and in computational material sciences. In this work we show that density functional theory could shed light on phase transitions and entanglement at…
The thermodynamic properties: specific heat, entropy, spin susceptibility $\chi_s$ and charge susceptibility $\chi_c$ are studied as a function of temperature and doping within the two-dimensional Hubbard model with various $U/t=4 - 12$.…
Atomistic simulations provide insights into structure-property relations on an atomic size and length scale, that are complementary to the macroscopic observables that can be obtained from experiments. Quantitative predictions, however, are…
The half-Heusler compound has drawn attention in a variety of fields as a candidate material for thermoelectric energy conversion and spintronics technology. This is because it has various electronic structures, such as semi-metals,…
We present an algebraic, nondiagrammatic derivation of finite-temperature second-order many-body perturbation theory [FT-MBPT(2)], using techniques and concepts accessible to theoretical chemical physicists. We give explicit expressions not…
We propose a method to obtain the thermal-equilibrium density matrix of a many-body quantum system using artificial neural networks. The variational function of the many-body density matrix is represented by a convolutional neural network…
Finite temperature properties of a non-Fermi liquid system is one of the most challenging probelms in current understanding of strongly correlated electron systems. The paradigmatic arena for studying non-Fermi liquids is in one dimension,…
We extend a recently proposed non-local and non-covariant version of the Thirring model to the finite-temperature case. We obtain a completely bosonized expression for the partition function, describing the thermodynamics of the collective…
Simulation of warm dense matter requires computational methods that capture both quantum and classical behavior efficiently under high-temperature, high-density conditions. Currently, density functional theory molecular dynamics is used to…
We apply density functional theory to study the freezing of superfluid {$^{4}\rm{He}$}, charged bosons and charged fermions at zero temperature. We employ accurate Quantum Monte Carlo data for the linear response function in the uniform…
We consider the finite-temperature frequency and momentum dependent two-point functions of local operators in integrable quantum field theories. We focus on the case where the zero temperature correlation function is dominated by a…
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…
Even though the Hubbard model is one of the most fundamental models of highly correlated electrons, analytical and numerical data describing its thermodynamics at nonzero magnetization are relatively scarce. We present a detailed…