We calculate the ground-state energy, pair correlation function, static structure factor, and momentum density of the one-dimensional electron fluid at high density using variational quantum Monte Carlo simulation. For an infinitely thin cylindrical wire the predicted correlation energy is found to fit nicely with a quadratic function of coupling parameter ${r}_{s}$ . The extracted exponent $\ensuremath{\alpha}$ of the momentum density for $k\ensuremath{\sim}{k}_{F}$ is used to determine the Tomonaga-Luttinger parameter ${K}_{\ensuremath{\rho}}$ as a function of ${r}_{s}$ in the high-density regime. We find that the simulated static structure factor and pair correlation function for infinitely thin wires agree with our recent high-density theory [K. Morawetz et al., Phys. Rev. B 97, 155147 (2018)].We calculate the ground-state energy, pair correlation function, static structure factor, and momentum density of the one-dimensional electron fluid at high density using variational quantum Monte Carlo simulation. For an infinitely thin cylindrical wire the predicted correlation energy is found to fit nicely with a quadratic function of coupling parameter ${r}_{s}$. The extracted exponent $\ensuremath{\alpha}$ of the momentum density for $k\ensuremath{\sim}{k}_{F}$ is used to determine the Tomonaga-Luttinger parameter ${K}_{\ensuremath{\rho}}$ as a function of ${r}_{s}$ in the high-density regime. We find that the simulated static structure factor and pair correlation function for infinitely thin wires agree with our recent high-density theory [K. Morawetz et al., Phys. Rev. B 97, 155147 (2018)].

arXiv:1805.00344Physical review. B./Physical review. BSep 24, 201812 citations

Energy Density Functional Theory of Many-Electron Systems

Eugene S. Kryachko, Eduardo V. Ludeña

Springer eBooksJan 1, 1990468 citations

Generalized local-density approximation and one-dimensional finite uniform electron gases

Pierre‐François Loos

We explicitly build a generalized local-density approximation (GLDA) correlation functional based on one-dimensional uniform electron gases (UEGs). The fundamental parameters of the GLDA---a generalization of the widely known local-density approximation used in density-functional theory---are the electronic density $\ensuremath{\rho}$ and a two-electron local parameter called the hole curvature $\ensuremath{\eta}$. The UEGs considered in this study are finite versions of the conventional infinite homogeneous electron gas and consist of $n$ electrons on an infinitely thin wire with periodic boundary conditions. We perform a comprehensive study of these finite UEGs at high, intermediate, and low densities using perturbation theory and quantum Monte Carlo calculations. We show that the present GLDA functional yields accurate estimates of the correlation energy for both weakly and strongly correlated one-dimensional systems and can be easily generalized to higher-dimensional systems.We explicitly build a generalized local-density approximation (GLDA) correlation functional based on one-dimensional uniform electron gases (UEGs). The fundamental parameters of the GLDA---a generalization of the widely known local-density approximation used in density-functional theory---are the electronic density $\ensuremath{\rho}$ and a two-electron local parameter called the hole curvature $\ensuremath{\eta}$. The UEGs considered in this study are finite versions of the conventional infinite homogeneous electron gas and consist of $n$ electrons on an infinitely thin wire with periodic boundary conditions. We perform a comprehensive study of these finite UEGs at high, intermediate, and low densities using perturbation theory and quantum Monte Carlo calculations. We show that the present GLDA functional yields accurate estimates of the correlation energy for both weakly and strongly correlated one-dimensional systems and can be easily generalized to higher-dimensional systems.

arXiv:1403.5358Physical Review AMay 30, 201420 citations

Remarks on the density functional approach to the inhomogeneous electron gas

Mojmír Tomášek, V. Mikoláš

Physica A Statistical Mechanics and its ApplicationsMar 1, 19792 citations

Study of Electron-Hole Bi-Wire System Using Quantum Monte Carlo Method

Priya Namawat, Vinod Ashokan

Abstract In this work, the computational method of Variational Monte Carlo is used to study the ground state properties of electron-hole (e-h) bi-wire systems. We have calculated the pair correlation function and static structure factor of a coupled infinitely thin e-h wire system of electronic density (rs= 1) and inter-wire distance (d = 1). The numerical calculation is carried out using the many-body trial wave function of the Slater-Jastrow backflow type. It is observed that the inter-wire correlations become quite important in the case of the mass-symmetric electron-hole bi-wire system due to the coulomb attractive nature of the bi-wire system.Abstract In this work, the computational method of Variational Monte Carlo is used to study the ground state properties of electron-hole (e-h) bi-wire systems. We have calculated the pair correlation function and static structure factor of a coupled infinitely thin e-h wire system of electronic density (rs= 1) and inter-wire distance (d = 1). The numerical calculation is carried out using the many-body trial wave function of the Slater-Jastrow backflow type. It is observed that the inter-wire correlations become quite important in the case of the mass-symmetric electron-hole bi-wire system due to the coulomb attractive nature of the bi-wire system.

Feb 17, 20231 citation

Density Functional Theory for Strongly-Interacting Electrons

Francesc Malet, André Mirtschink, Klaas J. H. Giesbertz +1 more

Mathematical physics studiesJan 1, 20144 citations

{r}_{s}

. The extracted exponent $\ensuremath{\alpha}$ of the momentum density for $k\ensuremath{\sim}{k}_{F}$ is used to determine the Tomonaga-Luttinger parameter ${K}_{\ensuremath{\rho}}$ as a function of

{r}_{s}

in the high-density regime. We find that the simulated static structure factor and pair correlation function for infinitely thin wires agree with our recent high-density theory [K. Morawetz et al., Phys. Rev. B 97, 155147 (2018)].

n

electrons on an infinitely thin wire with periodic boundary conditions. We perform a comprehensive study of these finite UEGs at high, intermediate, and low densities using perturbation theory and quantum Monte Carlo calculations. We show that the present GLDA functional yields accurate estimates of the correlation energy for both weakly and strongly correlated one-dimensional systems and can be easily generalized to higher-dimensional systems.