Related papers: Reduced density matrix functional theory at finite…
Electron correlation effects caused by the topological zero mode of a hydrogenated graphene vacancy, $V_{111}$, with three adsorbed hydrogen atoms is discussed theoretically. A Kondo model is derived from the multi-reference representation…
We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…
We study the low-temperature behavior of a magnetic impurity which is weakly coupled to correlated conduction electrons. To account for conduction electron interactions a diagrammatic approach in the frame of the 1/N expansion is developed.…
In ultrathin wires positioned on high-k dielectric substrates or nearby metallic gates electrons can form strongly correlated one-dimensional fluids already at rather high electron densities. The density-density correlation function, charge…
This work explores the use of joint density-functional theory, a new form of density-functional theory for the ab initio description of electronic systems in thermodynamic equilibrium with a liquid environment, to describe electrochemical…
Using the Singwi-Tosi-Land-Sjolander theory we have studied the many-body effects in the two-dimensional electron gas with arbitrary polarization at finite temperatures. We have calculated the structure factors, pair correlation functions,…
The functional-renormalization-group aided density-functional theory (FRG-DFT) is applied to the two-dimensional homogeneous electron gas (2DHEG). The correlation energy of the 2DHEG is derived as a function of the Wigner-Seitz radius $…
New energy-density functionals (EDFs) inspired by effective-field theories (EFTs) have been recently proposed. The present work focuses on three of such functionals which were developed to produce satisfactory equations of state for nuclear…
The density and temperature dependence of nucleonic single particle spectral function in symmetric nuclear matter at finite temperatures and densities beyond normal nuclear matter density is investigated in a model emphasizing short-range…
A finite temperature many-particle theory of condensed matter systems is formulated using the functional Schroedinger picture. Using the interacting electron gas as a model system, we solve the equation of motion for the density matrix…
We calculate the off-diagonal density matrix of the homogeneous electron gas at zero temperature using unbiased Reptation Monte Carlo for various densities and extrapolate the momentum distribution, and the kinetic and potential energies to…
Finite temperature density functional theory requires representations for the internal energy, entropy, and free energy as functionals of the local density field. A central formal difficulty for an orbital-free representation is…
We present and discuss some ideas concerning an ``average-pair-density functional theory'', in which the ground-state energy of a many-electron system is rewritten as a functional of the spherically and system-averaged pair density. These…
Using variational matrix product states, we analyze the finite temperature behavior of a half-filled periodic Anderson model in one dimension, a prototypical model of a Kondo insulator. We present an extensive analysis of single-particle…
The uniform electron gas and the hydrogen atom play fundamental roles in condensed matter physics and quantum chemistry. The former has an infinite number of electrons uniformly distributed over the neutralizing positively-charged…
Continuing the investigation started in a previous work, we consider form factors of integrable quantum field theories in finite volume, extending our investigation to matrix elements with disconnected pieces. Numerical verification of our…
In this chapter, we provide a review of ground-state Kohn-Sham density-functional theory of electronic systems and some of its extensions, we present exact expressions and constraints for the exchange and correlation density functionals,…
In this work, we propose a self-consistent minimization procedure for functionals in reduced density matrix functional theory. We introduce an effective noninteracting system at finite temperature which is capable of reproducing the…
Correlated density matrix theory is generalized to investigate equilibrium properties of normal Fermi Liquids such as 3He and nuclear matter at nonzero temperatures. The results also generalize the Fermi-hypernetted-chain technique that is…
The dependence of the three lowest order spatial correlation functions of a harmonically confined Bose gas on temperature and interaction strength is presented at equilibrium. Our analysis is based on a stochastic Langevin equation for the…