相关论文: Electronic and Structural Properties of C$_{36}$ M…

Three fundamentally different electronic structures for 3d electron states in LaMnO3, discussed in the current literature, have been presented. We are in favour of the localized electron atomic-like crystal-field approach that yields the…

Molecular Mechanics describes molecules as particle configurations interacting via classical potentials. These {\it configurational energies} usually consist of the sum of different phenomenological terms which are tailored to the…

In our previous paper [1], we studied a model of dark matter (DM) in which the hidden sector interacts with standard model particles via a hidden photonic portal (HP). We investigated the effects of this new interaction on the hydrogen atom…

Unique properties of plasmons in two-dimensional electron systems (2DESs) have been studied for many years. Existing theoretical approaches allow for analytical study of the properties of ungated and gated plasmons in two fundamental, ideal…

Optical and electronic phenomena in solids arise from the behaviour of electrons and holes (unoccupied states in a filled electron sea). Electron-hole symmetry can often be invoked as a simplifying description, which states that electrons…

The properties of a system of charged particles on a 2D lattice, subject to an anisotropic Jahn-Teller-type interaction and 3D Coulomb repulsion are investigated. In the mean-field approximation without Coulomb interaction, the system…

Background: The lead region, Po, Pb, Hg, and Pt, shows up the presence of coexisting structures having different deformation and corresponding to different particle-hole configurations in the Shell Model language. Purpose: We intend to…

In this paper we analytically study the effects of the lattice discreteness on the electron band in the SSH model. We propose a modified version of the TLM model which is derived from the SSH model using a continuum approximation. When a…

Recently, $\alpha$-$\textrm{RuCl}_3$ has attracted much attention as a possible material realization of the honeycomb Kitaev model, which may stabilize a quantum-spin-liquid state. Compared to extensive studies on its magnetic properties,…

Implementations of the Bruggeman and Maxwell Garnett homogenization formalisms were developed to estimate the relative permittivity dyadic of a homogenized composite material (HCM), namely $\underline{\underline{\epsilon}}^{\rm HCM}$,…

Starting from a multipole expansion of intra- molecular Coulomb interactions, we present configuration interaction calculations of the molecular energy terms of the hole configurations hu^m, m=2-5, of C60^{m+} cations, of the electron…

By using a Coulomb potential modified by the interaction between the magnetic moments of the electron and proton, we have calculated the energy levels of a hydrogen atom. We have obtained fine structure, hyperfine structure and the Lamb…

We have carried out a density functional theory study on the structures of DMSO clusters and analysed the structure and their stability using molecular electrostatic potential and quantum theory of atoms-in-molecules (QTAIM). The ground…

It is known that the asymptotic decay of the electron density outside a molecule is informative about its first ionization potential. It has recently become clear that the special circumstance that the Kohn-Sham (KS) highest-occupied…

The relation between halo mass, M, and concentration, c, is a critical component in our understanding of the structure of dark matter halos. While numerous models for this relation have been proposed, almost none of them attempt to derive…

We present the statistical properties of molecular clumps in the Galactic center 50 km s$^{-1}$ molecular cloud (GCM-0.02-0.07) based on observations of the CS $J=1-0$ emission line with the Nobeyama Millimeter Array. In the cloud, 37…

The electron-hole states of semiconductor quantum dots are investigated within the framework of empirical tight-binding descriptions for Si, as an example of an indirect gap material, and InAs and CdSe as examples of typical III-V and II-VI…

After a brief discussion of the structural trends which appear with increasing number of atoms in B cages, a one-to one correspondence between the connectivity of B cages and C cage structures will be proposed. The electronic level spectra…

We study the interplay of intrinsic-electronic and environmental factors on long-range charge transport across molecular chains with up to $N\sim 80$ monomers. We describe the molecular electronic structure of the chain with a tight-binding…

The plasmon excitations in Coulomb-coupled spherical two-dimensional electron gases (S2DEGs) reveal an interesting dependence on the displacement vector between the centers of the spheres with respect to the axis of quantization for the…