Related papers: Time-Dependent Density-Functional Theory for Super…
In this paper we formulate a nonlocal density functional theory of inhomogeneous water. We model a water molecule as a couple of oppositely charged sites. The negatively charged sites interact with each other through the Lennard-Jones…
The solvation of hydrophobic solutes in water is special because liquid and gas are almost at coexistence. In the common hypernetted chain approximation to integral equations, or equivalently in the homogenous reference fluid of molecular…
We construct a 2+1 dimensional model that sustains superconductivity at all temperatures. This is achieved by introducing a Chern Simons mixing term between two Abelian gauge fields A and Z. The superfluid is described by a complex scalar…
We present an extension of our recently introduced molecular density functional theory of water [G. Jeanmairet et al., J. Phys. Chem. Lett. 4, 619, 2013] to the solvation of hydrophobic solutes of various sizes, going from angstroms to…
Based on the Schrodinger equation, exact expressions for the non-relativistic particle energy in the local external field and the external field potential are derived as inhomogeneous density functionals. On this basis, it is shown that,…
In a recent PRL, Gonze et al claim that the density functional theory in Hohenberg-Kohn formulation is not valid for crystalline solids in a homogenious electric field. They introduce another theory, density-and-polarization functional…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
Landau theory of superfluidity associates low-temperature flow of the normal component with the phonon wind. This picture does not apply to superfluids in which Galilean invariance is broken either by disorder, porous media, or lattice…
In the presence of a (time-dependent) macroscopic electric field the electron dynamics of dielectrics cannot be described by the time-dependent density only. We present a real-time formalism that has the density and the macroscopic…
The normal density of a translation-invariant superfluid often vanishes at zero temperature, as is observed in superfluid Helium and conventional superconductors described by BCS theory. Here we show that this need not be the case. We…
We develop a description of fermionic superfluids in terms of an effective field theory for the pairing order parameter. Our effective field theory improves on the existing Ginzburg - Landau theory for superfluid Fermi gases in that it is…
We theoretically investigate superfluidity in a strongly interacting Fermi gas confined to two dimensions at finite temperature. Using a Gaussian pair fluctuation theory in the superfluid phase, we calculate the superfluid density and…
The Sutherland approximation to the van der Waals forces is applied to the derivation of a self-consistent Vlasov-type field in a liquid filling a half space, bordering vacuum. The ensuing Vlasov equation is then derived, and solved to…
The Barker-Henderson perturbation theory is a bedrock of liquid-state physics, providing quantitative predictions for the bulk thermodynamic properties of realistic model systems. However, this successful method has not been exploited for…
The Kohn-Sham approach to time-dependent density-functional theory (TDDFT) can be formulated, in principle exactly, by invoking the force-balance equation for the density, which leads to an explicit expression for the exchange-correlation…
The expressions for average densities of currents and charges induced by a weak electromagnetic field in spatially inhomogeneous systems are obtained. The case of finite temperatures is considered. It is shown that average values are…
Internal energies, enthalpies, phonon dispersion curves, and superconductivity of atomic metallic hydrogen are calculated. The (standard) use pseudopotentials in density-functional theory are compared with full (Coulomb)-potential…
We make use of the time-dependent density functional theory to derive a new formally exact expression for the dc resistivity of metals with impurities. This expression takes fully into account the dynamics of electron-electron interactions.…
The hydrodynamic description of a superfluid is usually based on a two-fluid picture. In this thesis, basic properties of such a relativistic two-fluid system are derived from the underlying microscopic physics of a complex scalar quantum…
The thermodynamics of the inhomogeneous one-dimensional repulsive fermionic Hubbard model with parabolic confinement is studied by a density-functional theory approach, based on Mermin's generalization to finite temperatures. A…