相关论文: The electron density is smooth away from the nucle…

A physically motivated equation that determines the number of electrons of a molecule is proposed based on chemical common sense. It shows that all molecules are entangled in the number of electrons and results in the fundamental assumption…

We consider the correlation functions in a gas of electrons moving within a thin layer on the surface of nanosize sphere. A closed form of expressions for the RKKY indirect exchange, superconducting Cooper loop and `density-density'…

We show how to describe the coupling of electrons to non-uniform magnetic fields in the framework of the widely used norm-conserving pseudopotential appro ximation for electronic structure calculations. Our derivation applies to magnetic…

We calculate the cross section of the electron scattering from a bound nucleon within light-front approximation. The advantage of this approximation is the possibility of systematic account for the off-shell effects which become essential…

Electron density and electron momentum density, while independently tractable experimentally, bear no direct connection without going through the many-electron wave function. However, invoking a variant of the constrained-search formulation…

The properties of nuclei embedded in an electron gas are studied within the relativistic mean-field approach. These studies are relevant for nuclear properties in astrophysical environments such as neutron-star crusts and supernova…

According to the Schiff theorem, an external electric field vanishes at atomic nucleus in a neutral atom in a stationary state, i.e. it is completely shielded by electrons. This makes a nuclear electric dipole moment (EDM) unobservable. We…

In a recent article (arxiv:1803.06332) we noticed that the electron density in condensed matter exhibits large spikes close to the atomic nuclei. We showed that these spikes in the electron densities, 3-4 orders of magnitude larger than…

We demonstrate that electrons in quantum dots defined by electrostatic gates in semiconductor nanotubes freeze orderly in space realizing a `Wigner molecule'. Our exact diagonalisation calculations uncover the features of the electron…

Electron charge density is a fundamental physical quantity, determining various properties of matter. In this study, we have proposed a deep-learning model for accurate charge density prediction. Our model naturally preserves physical…

We consider free electrons in rectangular quantum dots, with either hard wall boundary conditions or anharmonic confinement. In both cases, due to finite size effects, a homogeneous electric field applied along one of the rectangular axis…

A new kinetic instability which results in formation of charge density waves is proposed. The instability is of a purely classical nature. A spatial period of arising space-charge and field configuration is inversely proportional to…

The existence of electric fields close to their critical value $E_c=\frac{m_e^2 c^3}{e \hbar}$ has been proved for massive cores of $10^7$ up to $10^{57}$ nucleons using a proton distribution of constant density and a sharp step function at…

Density functional theory is used to describe electrolyte solutions in contact with electrodes of planar or spherical shape. For the electrolyte solutions we consider the so-called civilized model, in which all species present are treated…

We give a detailed microscopic analysis of why holes are different from electrons in condensed matter. Starting from a single atom with zero, one and two electrons, we show that the spectral functions for electrons and for holes are…

A curious behavior of electron correlation energy is explored. Namely, the correlation energy is the energy that tends to drive the system toward that of the uniform electron gas. As such, the energy assumes its maximum value when a…

We present a theoretical approach to investigate the scattering of polarized electrons from light nuclei using the multipole expansion for the scattering cross section within the framework of the unified electroweak theory. Scattering…

Empirically determined values of the nuclear volume and surface symmetry energy coefficients from nuclear masses are expressed in terms of density distributions of nucleons in heavy nuclei in the local density approximation. This is then…

Understanding electron localization in molecules and materials plays a central role in electronic structure theory, and will increase in importance with the rise of data-driven approaches. The electron localization function (ELF) is widely…

The toolbox for imaging molecules is well-equipped today. Some techniques visualize the geometrical structure, others the electron density or electron orbitals. Molecules are many-body systems for which the correlation between the…