Related papers: Layer-thickness effects in quai-two dimensional el…
We combine techniques from quantum and from classical density functional theory (DFT) to describe electron-ion mixtures. For homogeneous systems, we show how to calculate ion-ion and ion-electron correlation functions within Chihara's…
We consider density functionals for exchange and correlation energies in two-dimensional systems. The functionals are constructed by making use of exact constraints for the angular averages of the corresponding exchange and correlation…
We have obtained an analytic expression for the ring diagrams contribution to the correlation energy of a two dimensional electron liquid as a function of the uniform fractional spin polarization. Our results can be used to improve on the…
Using available quantum Monte Carlo predictions for a strictly 2D electron gas, we have estimated the spin susceptibility of electrons in actual devices taking into account the effect of the finite transverse thickness and finding a very…
The electric double layer structure in an electrolyte close to a solid substrate near the three-phase contact line is approximated by considering the linearized Poisson-Boltzmann equation in a wedge geometry. The mathematical approach…
A simple exact-exchange density-functional method for a quasi-two-dimensional electron gas with variable density is presented. An analytical expression for the exact-exchange potential with only one occupied subband is provided, without…
The very-low temperature thermal effective mass m* of paramagnetic and ferromagnetic electrons in a uniform electron fluid in two dimensions is studied. Analytical and numerical evaluations are used to meaningfully define an m*, even in the…
The rigorous QED evaluation of the one- and two-photon exchange corrections to the ground-state hyperfine splitting in Li-like ions is presented for the wide range of nuclear charge number $Z= 7 - 82$. The calculations are carried out in…
Properties of strongly correlated two-dimensional (2D) electron systems in solids are studied on the assumption that these systems undergo a phase transition, called fermion condensation, whose characteristic feature is flattening of the…
A recently proposed local second contact value theorem [Henderson D., Boda D., J. Electroanal. Chem., 2005, 582, 16] for the charge profile of an electric double layer is used in conjunction with the existing Monte Carlo data from the…
We present a theory of the pair distribution function $g(z)$ and many-body effective electron-electron interaction for one dimensional (1D) electron liquid. Our approach involves the solution of a zero-energy scattering Schr\"odinger…
Transition-metal dichalcogenides (TMDs) are promising for two-dimensional (2D) semiconducting devices and novel phenomena. For 2D applications, their work function, ionization energy, and electron affinity are required as a function of…
Density-density response functions are evaluated for nondegenerate multisubband electron systems in the random-phase approximation for arbitrary wave number and subband index. We consider both quasi-two-dimensional and quasi-one-…
The charge distribution at the interface between two electrolytes is studied for the case of non-vanishing ion fluxes. The analysis is an extension of the established Verwey-Niessen theory to non-equilibrium situations. Applying matched…
We suggest to include the density of electron charge explicitly in the electron potential of density functional theory, rather than implicitly via exchange-correlation functionals. The advantages of the approach are conceptual and…
The ab initio theory of electronic excitations in atomically thin [quasi-two-dimensional (Q2D)] crystals presents extra challenges in comparison to both the bulk and purely 2D cases. We argue that the conventionally used energy-loss…
We develop a dielectric matrix and analyze plasmon dispersion in strongly coupled charged-particle bilayers in the quantum domain. The formulation is based on the classical quasi-localized charge approximation (QLCA) and extends the QLCA…
The quasiparticle effective mass $m^\ast$ of interacting electrons is a fundamental quantity in the Fermi liquid theory. However, the precise value of the effective mass of uniform electron gas is still elusive after decades of research.…
Semi-local density functionals for the exchange-correlation energy of electrons are extensively used as it produce realistic and accurate results for finite and extended systems. The choice of techniques play crucial role in constructing…
The ground state energy of the two--dimensional uniform electron gas has been calculated with fixed--node diffusion Monte Carlo, including backflow correlations, for a wide range of electron densities as a function of spin polarization. We…