Approximately Self-Consistent Ensemble Density Functional Theory: Toward Inclusion of All Correlations

Functional designed to include surface effects in self-consistent density functional theory

Approximately self-consistent resummations for the thermodynamics of the quark-gluon plasma: I. Entropy and density

We propose a gauge-invariant and manifestly UV finite resummation of the physics of hard thermal/dense loops (HTL/HDL) in the thermodynamics of the quark-gluon plasma. The starting point is a simple, effectively one-loop expression for the entropy or the quark density which is derived from the fully self-consistent two-loop skeleton approximation to the free energy, but subject to further appro...

Approximately self-consistent resummations for the thermodynamics of the quark-gluon plasma: Entropy and density

We propose a gauge-invariant and manifestly UV finite resummation of the physics of hard thermal or dense loops ~HTL-HDL! in the thermodynamics of the quark-gluon plasma. The starting point is a simple, effectively one-loop expression for the entropy or the quark density which is derived from the fully self-consistent two-loop skeleton approximation to the free energy, but subject to further ap...

Robust acceleration of self consistent field calculations for density functional theory.

We show that the type 2 Broyden secant method is a robust general purpose mixer for self consistent field problems in density functional theory. The Broyden method gives reliable convergence for a large class of problems and parameter choices. We directly mix the approximation of the electronic density to provide a basis independent mixing scheme. In particular, we show that a single set of par...

Theory of thermostatted inhomogeneous granular fluids: a self-consistent density functional description.

The authors present a study of the nonequilibrium statistical properties of a one dimensional hard-rod fluid dissipating energy via inelastic collisions and subject to the action of a Gaussian heat bath, simulating an external driving mechanism. They show that the description of the fluid based on the one-particle phase-space reduced distribution function, in principle necessary because of the ...