Related papers: Thermal quasi-particle theory
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…
A formulation of the density functional theory is constructed on the foundations of entropic inference. The theory is introduced as an application of maximum entropy for inhomogeneous fluids in thermal equilibrium. It is shown that entropic…
This article is part-I of a review of density-functional theory (DFT) that is the most widely used method for calculating electronic structure of materials. The accuracy and ease of numerical implementation of DFT methods has resulted in…
Simulation of warm dense matter requires computational methods that capture both quantum and classical behavior efficiently under high-temperature, high-density conditions. Currently, density functional theory molecular dynamics is used to…
We study the equation of state of neutron matter at finite temperature based on two- and three-nucleon interactions derived within chiral effective field theory to next-to-next-to-next-to-leading order. The free energy, pressure, entropy,…
The understanding of the interaction of nucleons in nuclear and neutron-rich matter at non-zero temperature is important for a variety of applications ranging from heavy-ion collisions to nuclear astrophysics. In this papre we apply the…
Due to efficient scaling with electron number N, density functional theory (DFT) is widely used for studies of large molecules and solids. Restriction of an exact mean-field theory to local potential functions has recently been questioned.…
The partition function of a relativistic invariant quantum field theory is expressed by its vacuum energy calculated on a spatial manifold with one dimension compactified to a 1-sphere $S^1 (\beta)$, whose circumference $\beta$ represents…
A new approach to quantum field theory at finite temperature and density in arbitrary space-time dimension D is developed. We focus mainly on relativistic theories, but the approach applies to non-relativistic ones as well. In this…
A finite-temperature perturbation theory for the grand canonical ensemble is introduced that expands chemical potential in a perturbation series and conserves the average number of electrons, ensuring charge neutrality of the system at each…
The Hartree-Fock (HF) approximation has been an important tool for quantum-chemical calculations since its earliest appearance in the late 1920s, and remains the starting point of most single-reference methods in use today. Intuition…
Using the nonequilibrium Green's function (NEGF) formalism, we propose a microscopic theory for near-field heat transfer between charged metal plates focusing on the Coulomb interactions. Tight-binding models for the electrons are coupled…
We study the finite temperature properties of two-component fermionic atoms trapped in a two-dimensional optical lattice. We apply the self-energy functional approach to the two-dimensional Hubbard model with a harmonic trapping potential,…
The one-particle Green function of a many-electron system is traditionally formulated within the self-energy picture. A different formalism was recently proposed, in which the self-energy is replaced by a dynamical exchange-correlation…
Employing a local formula for the electron-electron interaction energy, we derive a self-consistent approximation for the total energy of a general $N$-electron system. Our scheme works as a local variant of the Thomas-Fermi approximation…
Polymer self-consistent field theory techniques are used to derive quantum density functional theory without the use of the theorems of density functional theory. Instead, a free energy is obtained from a partition function that is…
Mutual entrainment effects in cold neutron-proton mixtures are studied in the framework of the self-consistent nuclear energy-density functional theory. Exact expressions for the mass currents, valid for both homogeneous and inhomogeneous…
In this proceedings we present a state-of-the-art method of calculating thermodynamic potential at finite temperature and finite chemical potential, using Hard Thermal Loop perturbation theory (HTLpt) up to next-to-next-leading-order…
Effects of finite-temperature quasiparticle self-energy corrections to x-ray absorption spectra are investigated within the finite-temperature quasiparticle local density GW approximation up to temperatures $T$ of order the Fermi…
The understanding of the interaction of nucleons in nuclear and neutron-rich matter at non-zero temperature is important for a variety of applications ranging from heavy-ion collisions to nuclear astrophysics. In this paper we apply the…