Related papers: Pseudopotential for the electron-electron interact…
The gas of the interacted electrons is usually described within Kohn-Sham approximation by the set of Poisson and Schr\"{o}dinger equations with an effective potential for the single-particle wave functions. The solution of these equations…
We study analytically and numerically dynamics and eigenstates of two electrons with Coulomb repulsion on a tight-binding lattice in one and two dimensions. The total energy and momentum of electrons are conserved and we show that for a…
We derive a zero-range pseudopotential that includes all possible terms up to sixth order in derivatives. Within the Hartree-Fock approximation, it gives the average energy that corresponds to a quasi-local nuclear Energy Density Functional…
Machine learning is used to generate empirical pseudopotentials that characterize the local screened interactions in the Kohn-Sham Hamiltonian. Our approach incorporates momentum-range-separated rotation-covariant descriptors to capture…
Conductivity models for warm dense matter inform simulations of planetary structure and fusion experiments. State-of-the-art conductivity calculations based on density functional theory approximate many-body physics and neglect…
Electron-electron correlation forms the basis of difficulties encountered in many-body problems. Accurate treatment of the correlation problem is likely to unravel some nice physical properties of matter embedded in this correlation. In an…
We use a nonlinear Schroedinger-Poisson equation to describe two interacting electrons with opposite spins confined in a parabolic potential, a quantum dot. We propose an effective form of the Poisson equation taking into account the…
The electronic conductance of a molecule making contact to electrodes is determined by the coupling of discrete molecular states to the continuum electrode density of states. Interactions between bound states and continua can be modeled…
We outline a rigorous method which can be used to solve the many-body Schroedinger equation for a Coulomb interacting electronic system in an external classical magnetic field as well as a quantized electromagnetic field. Effects of the…
We derive analytic expressions for the two-body matrix elements in finite spherical quantum Hall systems in terms of a general scalar interaction expressed as a sum over Legendre polynomials, and we derive the corresponding pair…
In this work we describe a model for the exchange interaction of electrons, as it follows from the Pauli exclusion principle. Starting from Hartree-Fock theory and making use of the free electron-gas model we propose a simple scheme to…
We have identified the unscreened Froehlich electron-phonon interaction (EPI) as the most essential for pairing in cuprate superconductors as now confirmed by isotope substitution, recent angle-resolved photoemission (ARPES), and some other…
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…
Accurate calculation of electrostatic potential and gradient on the molecular surface is highly desirable for the continuum and hybrid modeling of large scale deformation of biomolecules in solvent. In this article a new numerical method is…
We show that the scattering interaction between a high energy electron and a photon can be strongly enhanced by different types of localized plasmons in a non-trivial way. The scattering interaction is predicted by an eigen-response theory,…
We consider the system of two interacting atoms confined in axially symmetric harmonic trap. Within the pseudopotential approximation, we solve the Schroedinger equation exactly, discussing the limits of quasi-one and quasi-two-dimensional…
We study Coulomb drag between an active layer with a clean electron liquid and a passive layer with a pinned electron lattice in the regime of fast intralayer equilibration. Such a two-fluid system offers an experimentally realizable way to…
An effective method for the quantitative description of the electronic excited states of polyatomic systems is developed by using computer technology. The proposed method allows calculating various properties of matter at the atomic level…
We obtain the phase diagram of the double-exchange model at low electronic densities in the presence of electron-electron interactions. The single particle problem and its extension to low electronic densities, when a Wigner crystal of…
An accurate and consistent theory of phonons in metals requires that all long-range Coulomb interactions between charged particles (electrons and ions) be treated on equal footing. So far, all attempts to deal with this non-perturbative…