English
Related papers

Related papers: Reduced density matrix functional theory at finite…

200 papers

Density Functional Theory relies on universal functionals characteristic of a given system. Those functionals in general are different for the electron gas and for jellium (electron gas with uniform background). However, jellium is…

Statistical Mechanics · Physics 2017-05-23 James W. Dufty

In this work, the zero-temperature limit of the thermodynamic spin-density functional theory is investigated. The coarse-grained approach to the equilibrium density operator is used to describe the equilibrium state. The characteristic…

Chemical Physics · Physics 2013-10-28 Robert Balawender

Density functional theory at finite temperatures often relies on the zero-temperature approximation, which uses a ground-state exchange-correlation functional with thermalized densities. This approach, however, neglects the explicit…

Other Condensed Matter · Physics 2026-03-26 Brianna Aguilar-Solis , Brittany P. Harding , Aurora Pribram-Jones

We use spin-density functional theory to obtain novel expressions for the charge and spin local-field factors of an electron gas in terms of its electron-pair structure factors. These expressions (i) satisfy the compressibility and spin…

Strongly Correlated Electrons · Physics 2009-11-07 B. Davoudi , M. Polini , M. P. Tosi

The homogeneous electron gas is one of the most studied model systems in condensed matter physics. It is also at the basis of the large majority of approximations to the functionals of density functional theory. As such, its…

Strongly Correlated Electrons · Physics 2020-07-14 Robert Schlesier , Carlos L. Benavides-Riveros , Miguel A. L. Marques

The combination of density functional theory with other approaches to the many-electron problem through the separation of the electron-electron interaction into a short-range and a long-range contribution is a promising method, which is…

Materials Science · Physics 2009-11-11 Paola Gori-Giorgi , Andreas Savin

In this paper we analyze how radiation effects influence the correlation functions, the excess energy, and in turn the electron correlation energy of the quantized electron gas at temperature $T=0$. To that aim we resort to a statistical…

Statistical Mechanics · Physics 2020-08-26 Johan S. Høye , Enrique Lomba

We consider the one-dimensional delta-interacting electron gas in the case of infinite repulsion. We use determinant representations to study the long time, large distance asymptotics of correlation functions of local fields in the gas…

Condensed Matter · Physics 2009-10-31 F. Göhmann , A. G. Izergin , V. E. Korepin , A. G. Pronko

Reduced density-matrix functional theory (RDMFT) is a promising alternative approach to the problem of electron correlation. Like standard density functional theory, it contains an unknown exchange-correlation functional, for which several…

Chemical Physics · Physics 2017-03-03 N. N. Lathiotakis , Miguel A. L. Marques

A theory is developed for magnetically confined Fermi gas at low temperature based on the density functional theory. The theory is illustrated by numerical calculation of density distributions of Fermi atoms $^{40}$K with parameters…

Atomic Physics · Physics 2009-11-07 Yu-Jun Chen , H. R. Ma

We use the density matrix renormalization group method (DMRG) to compute the frequency and momentum resolved spin-spin correlation functions of a dimerized spin-1/2 chain under a magnetic field at finite temperature. The spectral features…

Strongly Correlated Electrons · Physics 2018-10-09 Emanuele Coira , Peter Barmettler , Thierry Giamarchi , Corinna Kollath

We consider finite temperature dynamical correlation functions in the interacting delta-function Bose gas. In the low-temperature limit the asymptotic behaviour of correlation functions can be determined from conformal field theory. In the…

Statistical Mechanics · Physics 2009-10-31 Fabian H. L. Essler , Vladimir E. Korepin , Franck T. Latremoliere

The various thermodynamic functions dependence on degree of energy band occupation and temperature was studied. The one-band tight binding approximation for the electron energy spectrum was used. The Fermi energy, density of states,…

Statistical Mechanics · Physics 2010-10-11 B. V. Karpenko , A. V. Kuznetzov , V. V. Dyakin

As a new approach to efficiently describe correlation effects in the relativistic quantum world we propose to consider reduced density matrix functional theory, where the key quantity is the first-order reduced density matrix (1-RDM). In…

Chemical Physics · Physics 2022-05-05 M. Rodríguez-Mayorga , K. J. H. Giesbertz , L. Visscher

We consider dynamical correlation functions of short range interacting electrons in one dimension at finite temperature. Below a critical value of the chemical potential there is no Fermi surface anymore, and the system can no longer be…

Strongly Correlated Electrons · Physics 2009-10-31 F. Göhmann , V. E. Korepin

We show an $\textit{ab initio}$ construction of the energy density functional (EDF) for electron systems using the functional renormalization group. The correlation energies of the homogeneous electron gas given in our framework reproduce…

Strongly Correlated Electrons · Physics 2021-08-03 Takeru Yokota , Tomoya Naito

By introducing the self-energy density functionals for the dissipative interactions between the reduced system and its environment, we develop a time-dependent density-functional theory formalism based on an equation of motion for the…

Quantum Physics · Physics 2009-11-13 Xiao Zheng , Fan Wang , Chi Yung Yam , Yan Mo , GuanHua Chen

A curious behavior of electron correlation energy is explored. Namely, the correlation energy is the energy that tends to drive the system toward that of the uniform electron gas. As such, the energy assumes its maximum value when a…

Materials Science · Physics 2019-12-17 Teepanis Chachiyo , Hathaithip Chachiyo

We carry out extensive direct path integral Monte Carlo (PIMC) simulations of the uniform electron gas (UEG) at finite temperature for different values of the spin-polarization $\xi$. This allows us to unambiguously quantify the impact of…

Computational Physics · Physics 2021-12-01 Tobias Dornheim , Jan Vorberger , Burkhard Militzer , Zhandos A. Moldabekov

We apply reduced density-matrix functional theory to the parabolically confined quantum Hall droplet in the spin-frozen strong magnetic field regime. One-body reduced density matrix functional method performs remarkably well in obtaining…

Mesoscale and Nanoscale Physics · Physics 2015-05-14 E. Tölö , A. Harju