Related papers: Physical insights from imaginary-time density--den…
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…
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…
We have used the variational and diffusion quantum Monte Carlo methods to calculate the energy, pair correlation function, static structure factor, and momentum density of the ground state of the two-dimensional homogeneous electron gas. We…
We present a new method for realizing the adiabatic connection approach in density functional theory, which is based on combining accurate variational quantum Monte Carlo calculations with a constrained optimization of the ground state…
The relationship between the exact kinetic energy density in a quantum system in the frame of Density Functional Theory and the semiclassical functional expression for the same quantity is investigated. The analysis is performed with Monte…
The standard approach for path integral Monte Carlo simulations of open quantum systems is extended as an efficient tool to monitor the time evolution of coherences (off-diagonal elements of the reduced density matrix) also for strong…
One of the most important quantities characterizing the microscopic properties of quantum systems are dynamical correlation functions. These correlations are obtained by time-evolving a perturbation of an eigenstate of the system, typically…
We present a new method for extracting numerically exact imaginary-time Green functions from standard Hirsch-Fye quantum Monte Carlo (HF-QMC) simulations within dynamical mean-field theory. By analytic continuation, angular resolved spectra…
We use the functional renormalization group (FRG) to derive analytical expressions for thermodynamic observables (density, pressure, entropy, and compressibility) as well as for single-particle properties (wavefunction renormalization and…
We derive simple analytical expressions for the particle density $\rho(r)$ and the kinetic energy density $\tau(r)$ for a system of noninteracting fermions in a $d-$dimensional isotropic harmonic oscillator potential. We test the…
We present extensive new \textit{ab intio} path integral Monte Carlo results for the momentum distribution function $n(\mathbf{k})$ of the uniform electron gas (UEG) in the warm dense matter (WDM) regime over a broad range of densities and…
Point defects are of interest for many applications, from quantum sensing to modifying bulk properties of materials. Because of their localized orbitals, the electronic states are often strongly correlated, which has led to a proliferation…
We extend the imaginary-time formulation of the equilibrium quantum many-body theory to steady-state nonequilibrium with an application to strongly correlated transport. By introducing Matsubara voltage, we keep the finite chemical…
Due to a beneficial balance of computational cost and accuracy, real-time time-dependent density functional theory has emerged as a promising first-principles framework to describe electron real-time dynamics. Here we discuss recent…
Spontaneous symmetry breaking is responsible for rich quantum phenomena from crystalline structures to superconductivity. This concept was boldly extended to the breaking of time translation, opening an avenue to finding exotic phases of…
We present a novel simulation prescription for thermal quantum fields on a lattice that operates directly in imaginary frequency space. By distinguishing initial conditions from quantum dynamics it provides access to correlation functions…
In this work we explore an instance of the $\tau$-function of vertex type operators, specified in terms of a constant phase shift in a free-fermionic basis. From the physical point of view this $\tau$-function has multiple interpretations:…
Verifying entanglement with experimental measurements requires that we take the limitations of experimental techniques into account, while still proving that the data obtained could not have been generated from a classical source. In the…
We obtain an exact analytic expression for the dynamical structure factor of one-dimensional quantum gas of hard rods. Our result is valid for arbitrary many-body state of the system, with finite temperature states and the ground state…
In a classical plasma the momentum distribution, $n(k)$, decays exponentially, for large $k$, and the same is observed for an ideal Fermi gas. However, when quantum and correlation effects are relevant simultaneously, an algebraic decay,…