Related papers: Interstitial Electronic Localization
We present here a model of the exchange-correlation hole for strongly correlated systems using a simple nonlocal generalization of the Wigner--Seitz radius. The model behaves similarly to the strictly correlated electron approach, which…
The spatial behavior of Landau levels (LLs) for the $nu=1$ quantum Hall regime at the edge of a wide channel is studied in a self-consistent way by using a generalized local density approximation proposed here. Both exchange interaction and…
The electronic structures of element cerium under high pressure remain unclear all the time. We tried to calculate the electronic structures of $\alpha'$, $\alpha"$, and $\epsilon$-Ce which only exist in the presence of pressure, by using…
Because of the potentially large number of important applications of nonlinear optics, researchers have expended a great deal of effort to optimize the second-order molecular nonlinear-optical response, called the hyperpolarizability. The…
The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…
We introduce the notion of topological electronic states on random lattices in non-integer dimensions. By considering a class $D$ model on critical percolation clusters embedded in two dimensions, we demonstrate that these topological…
Chemical bonding is the stabilization of a composite molecular system caused by different interactions in and between the subsystems, among the strong kinds of bonding is covalent bonding especially important. Characteristic for covalent…
Collisionless plasma systems are often studied using fully kinetic simulations, where protons and electrons are treated as particles. Due to their computational expense, it is necessary to reduce the ion-to-electron mass ratio $m_i/m_e$ or…
We present results of a detailed quantum mechanical study of a gas of $N$ noninteracting electrons confined to a circular boundary and subject to homogeneous dc plus ac magnetic fields $(B=B_{dc}+B_{ac}f(t)$, with…
This article studies the vortical nature and structure of phase-space holes -- nonlinear B.G.K. trapping modes found in the phase-space collision-free plasmas. A fluid-like outlook of the particles' phase-space is explored, which makes it…
We study the localization of bosonic atoms in an optical lattice, which interact in a spatially confined region. The classical theory predicts that there is no localization below a threshold value for the strength of interaction that is…
Excluding the very shallow potential minimum of the electronic ground state, all bound electronic states of He$_2$ have Rydberg character. Their potential-energy functions are similar to those of the He$_2^+$ states to which the Rydberg…
Shannon entropy in position ($S_{\rvec}$) and momentum ($S_{\pvec}$) spaces, along with their sum ($S_t$) are presented for unit-normalized densities of He, Li$^+$ and Be$^{2+}$ ions, spatially confined at the center of an impenetrable…
Electron transport is theoretically investigated in a molecular device made of anthracene molecule attached to the electrodes by thiol end groups in two different configurations (para and meta, respectively). Molecular system is described…
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…
We study the quantum statistical electronic properties of random networks which inherently lack a fixed spatial dimension. We use tools like the density of states (DOS) and the inverse participation ratio(IPR) to uncover various phenomena,…
In high orbital angular momentum ($\ell \geq 3$) Rydberg states, the centrifugal barrier hinders close approach of the Rydberg electron to the ion-core. As a result, these core-nonpenetrating Rydberg states can be well described by a…
Achieving control over light-matter interaction in custom-tailored nanostructures is at the core of modern quantum electrodynamics [1-15]. In ultrastrongly coupled systems [5-15], excitation is repeatedly exchanged between a resonator and…
The existence of Anderson localization, characterized by vanishing diffusion due to strong disorder, has been demonstrated in numerous ways. A systematic approach based on the Anderson quantum model of the Fermi gas in random lattices that…
The Li-centered "ferric wheel" molecules with six oxo-bridged iron atoms form molecular crystals. We probed their electronic structure by X-ray photoelectron (XPS) and soft X-ray emission spectroscopy (XES), having calculated in parallel…