Related papers: Uniform quantized electron gas
Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range…
We consider energetics of a free quantum Brownian particle coupled to thermostat of temperature $T$ and study this problem in terms of the lately formulated quantum analogue of the energy equipartition theorem. We show how this quantum…
We present a novel combination of quantum Monte Carlo methods and a finite size extrapolation framework with which we calculate the thermodynamic limit of the exact correlation energy of the polarized electron gas at high densities to meV…
An importance sampling method based on Generalized Feynman-Kac method has been used to calculate the mean values of quantum observables from quantum correlation functions for many body systems both at zero and finite temperature.…
We report variational and diffusion Quantum Monte Carlo ground-state energies of the three-dimensional electron gas using a model periodic Coulomb interaction and backflow corrections for N=54, 102, 178, and 226 electrons. We remove…
The canonical-ensemble description of reactive quantum gas mixtures is reformulated by incorporating a single global particle-number-conservation constraint over the combined spectra of inter-converting species. This constraint replaces the…
It is shown that the recently proposed quantum analogue of classical energy equipartition theorem for two paradigmatic, exactly solved models (i.e., a free Brownian particle and a dissipative harmonic oscillator) also holds true for all…
Understanding the dynamic properties of the uniform electron gas (UEG) is important for numerous applications ranging from semiconductor physics to exotic warm dense matter. In this work, we apply the maximum entropy method (MEM), as…
We study the statistical mechanics of a one-dimensional log gas with general potential and arbitrary beta, the inverse of temperature, according to the method we introduced for two-dimensional Coulomb gases in [SS2]. Such ensembles…
We express the unitary time evolution in non-relativistic regularized quantum electrodynamics at zero and positive temperature by a Feynman integral defined in terms of a complex Brownian motion. An average over the quantum electromagnetic…
We show that when the thermal wavelength is comparable to the spatial size of a system, thermodynamic observables like Pressure and Volume have quantum fluctuations that cannot be ignored. They are now represented by operators; conventional…
From sand piles to electrons in metals, one of the greatest challenges in modern physics is to understand the behavior of an ensemble of strongly interacting particles. A class of quantum many-body systems such as neutron matter and cold…
Most treatments of electron-electron correlations in dense plasmas either ignore them entirely (random phase approximation) or neglect the role of ions (jellium approximation). In this work, we go beyond both these approximations to derive…
Quantum correlations can be used as a resource for quantum computing, eg for quantum state manipulation, and for quantum sensing, eg for creating non-classical states which allow to achieve the quantum advantage regime. This review collects…
The new scheme employed (throughout the thermodynamic phase space), in the statistical thermodynamic investigation of classical systems, is extended to quantum systems. Quantum Nearest Neighbor Probability Density Functions are formulated…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…
Variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrow-backflow trial wave functions are used to study the spin-polarized three-dimensional uniform electron fluid. We report ground state VMC and DMC energies…
We present an accurate local density-functional for electronic-structure calculations within the density functional theory (DFT). The functional is derived by analyzing the structure of the standard perturbative expansion of the correlation…
A quantum system at equilibrium is represented by a corresponding classical system, chosen to reproduce the thermodynamic and structural properties. The objective is to develop a means for exploiting strong coupling classical methods (e.g.,…
Conditional-probability density functional theory (CP-DFT) is a formally exact method for finding correlation energies from Kohn-Sham DFT without evaluating an explicit energy functional. We present details on how to generate accurate…