Related papers: Semiconductor dielectric function, excitons and th…
On the basis of the exact relations the general formula for the static dielectric permittivity for Coulomb system is found in the region of small wave vectors. The obtained formula describes the dielectric function of the Coulomb system in…
The theory of Raman scattering by the electron--phonon coupled system in metals and heavily doped semiconductors is developed taking into account the Coulomb screening and the electron--phonon deformation interaction. The Boltzmann equation…
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…
Anions and radicals are important for many applications including environmental chemistry, semiconductors, and charge transfer, but are poorly described by the available approximate energy density functionals. Here we test an approximate…
Low field response function calculations have been performed on a two-dimensional electron gas with well-defined electron-surface roughness scattering. The Lindhard model was employed to compute the response function. In particular,…
With a super-high-efficient numerical algorithm, we are able to self-consistently calculate the Green's function in the renormalized-ring-diagram approximation for a two-dimensional electron system with long-range Coulomb interactions. The…
We present a practical and accurate density functional for the exchange-correlation energy of electrons in two dimensions. The exchange part is based on a recent two-dimensional generalized-gradient approximation derived by considering the…
We study a semi-classical Schr{\"o}dinger equation which describes the dynamics of an electron in a crystal in the presence of impurities. It is well-known that under suitable assumptions on the initial data, the wave function can be…
The Semiempirical Pseudopotential Method (SEPM) has emerged as a valuable tool for accurately determining band structures, especially in the realm of low-dimensional materials. SEPM operates by utilizing atomic pseudopotentials, which are…
We use analytic and numerical methods to determine the density of states of a one-dimensional electron gas coupled to a spatially random quasi-static back-scattering potential of long correlation length. Our results provide insight into the…
An exciton theory for quasi-one dimensional organic materials is developed in the framework of the Su-Schrieffer-Heeger Hamiltonian augmented by short range extended Hubbard interactions. Within a strong electron-electron correlation…
We study properties of an attractive-repulsive energy functional based on power-kernels, which can be used for halftoning of images. In the first part of this work, using a variational framework for probability measures, we examine…
Starting from the random phase approximation for the weakly coupled multiband tightly-bounded electron systems, we calculate the dielectric matrix in terms of intraband and interband transitions. The advantages of this representation with…
We construct an approximate renormalization for Hamiltonian systems with two degrees of freedom in order to study the break-up of invariant tori with arbitrary frequency. We derive the equation of the critical surface of the renormalization…
In this work we compare Monte Carlo (MC) simulations of electron transport properties with reflection electron energy loss measurements in diamond and graphite films. We assess the impact of different approximations of the dielectric…
We report a theoretical study of dielectric properties of models of amorphous Boron Nitride, using interatomic potentials generated by machine learning. We first perform first-principles simulations on small (about $100$ atoms in the…
The osmotic coefficient of solutions of rod-like polyelectrolytes is considered by comparing current theoretical treatments and simulations to recent experimental data. The discussion is restricted to the case of monovalent counterions and…
The Schr\"odinger equation discribing the local potential model of a strong $\pi^+\pi^-$-interaction was studied. The influence of the strong $\pi^+\pi^-$-interaction of the behaviour of pionium nS-state wave functions at small distances is…
We use the Kramers-Heisenberg approach to derive a general expression for the resonant Raman scattering cross section from a one-dimensional (1D) system explicitly accounting for excitonic effects. The result should prove useful for…
We examine the influence of the main approximations employed in density-functional theory descriptions of the solid phase of molecular hydrogen near dissociation. We consider the importance of nuclear quantum effects on equilibrium…