Related papers: Becke-Johnson-type exchange potential for two-dime…
The Exact-Exchange (EXX) Kohn-Sham formalism, which treats exchange interactions exactly within density-functional theory, is applied to one-dimensional periodic systems. The underlying implementation does not rely on specific symmetries of…
Exchangeability -- in which the distribution of an infinite sequence is invariant to reorderings of its elements -- implies the existence of a simple conditional independence structure that may be leveraged in the design of statistical…
A three-dimensional reduction of the two-particle Bethe-Salpeter equation is proposed. The proposed reduction is in the framework of light-front dynamics. It yields auxiliary quantities for the transition matrix and the bound state. The…
A density functional theory is developed for fermions in one dimension, interacting via a delta-function. Such systems provide a natural testing ground for questions of principle, as the local density approximation should work well for…
Very recently, in the 2011 version of the Wien2K code, the long standing shortcome of the codes based on Density Functional Theory, namely, its impossibility to account for the experimental band gap value of semiconductors, was overcome.…
The properties of the Kohn-Sham (KS) exchange potential for open systems in thermodynamical equilibrium, where the number of particles is non-conserved, are analyzed with the Optimized Effective Potential (OEP) method of Density Functional…
We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…
We apply a subtracted dispersion relation formalism with the aim to improve predictions for the two-photon exchange corrections to elastic electron-proton scattering observables at finite momentum transfers. We study the formalism on the…
We derive a two-term asymptotic expansion for the exchange energy of the free electron gas on strictly tessellating polytopes and fundamental domains of lattices in the thermodynamic limit. This expansion comprises a bulk (volume-dependent)…
Recent theoretical developments in the studies of two-photon exchange effects in elastic electron-proton scattering are reviewed. Two-photon exchange mechanism is considered a likely source of discrepancy between polarized and unpolarized…
We present a construction of an improved two-mode model for modeling the dynamics of interacting ultra-cold bosons confined in a one-dimensional double well trap. Unlike in the typically used two-mode model based on the lowest…
While the variational principle for excited-state energies leads to a route to obtaining excited-state densities from time-dependent density functional theory, relatively little attention has been paid to the quality of the resulting…
Electronic structures are fully determined by the exchange-correlation (XC) potential. In this work, we develop a new method to construct reliable XC potentials by properly mixing the exact exchange and the local density approximation…
A density functional theory of two-dimensional freezing is presented for a soft interaction potential that scales as inverse cube of particle distance. This repulsive potential between parallel, induced dipoles is realized for paramagnetic…
We study a two-scale reaction-diffusion system with nonlinear reaction terms and a nonlinear transmission condition (remotely ressembling Henry's law) posed at air-liquid interfaces. We prove the rate of convergence of the two-scale…
The dynamics of the expansion of a Lennard-Jones system, initially confined at high density and subsequently expanding freely in the vacuum, is confronted to an expanding statistical ensemble, derived in the diluted quasi-ideal Boltzmann…
We evaluate the two-photon exchange correction to the unpolarized cross section in the elastic muon-proton scattering within dispersion relations. One of the six independent invariant amplitudes requires a subtraction. We fix the…
Quantum-electrodynamical density-functional theory (QEDFT) provides a promising avenue for exploring complex light-matter interactions in optical cavities for real materials. Similar to conventional density-functional theory, the Kohn-Sham…
Double-exchange system is investigated by the dynamical mean-field theory. We show that the chemical potential shifts as a function of temperature and magnetization, which is anomalously large. We also discuss the influences of dynamic…
Accurate treatment of the electronic correlation in inhomogeneous electronic systems, combined with the ability to capture the correlation energy of the homogeneous electron gas, allows to reach high predictive power in the application of…