相关论文: Electronic Energy Singularities of Weakly H-bonded…
A model to describe electronic correlations in energy bands is considered. The model is a generalization of the conventional Hubbard model that allows for the fact that the wavefunction for two electrons occupying the same Wannier orbital…
We discuss the construction of low-energy tight-binding Hamiltonians for condensed matter systems with a strong coupling to the quantum electromagnetic field. Such Hamiltonians can be obtained by projecting the continuum theory on a given…
In this paper, we investigate the energy decay of hyperbolic systems of wave-wave, wave-Euler- Bernoulli beam and beam-beam types. The two equations are coupled through boundary connection with only one localized non-smooth fractional…
The bound state energies of L-shaped or T-shaped quantum wires in inhomogeous magnetic fields are found to depend strongly on the asymmetric parameter $\alpha =W_{2}/W_{1}$, i.e. the ratio of the arm widths. Two effects of magnetic field on…
In this article, we have studied the dissociation temperature of 1S and 2S states of heavy quarkonium in the presence of anisotropy and a strong magnetic field background using the dissociation energy criterion. We utilized the…
Energetics and quantized conductance in jellium modeled nanowires are investigated using the local density functional based shell correction method, extending our previous study of uniform in shape wires [C. Yannouleas and U. Landman, J.…
For unpolarized electrons in a clean quantum wire, density functional theory reveals a thermally activated suppression of conductance. The activation temperature T_A grows slowly (roughly quadratically) with gate voltage due to pinning of…
The single-particle contributions to the optical conductivity of the quasi-one-dimensional systems has been reexamined by using the gauge-invariant transverse microscopic approach. The valence electrons are described by a model with the…
We present a method which computes many-electron energies and eigenfunctions by a full configuration interaction which uses a basis of atomistic tight-binding wave functions. This approach captures electron correlation as well as atomistic…
We report a systematic study of the weak chemical bond between two benzene molecules. We first show that it is possible to obtain a very good description of the C_2 dimer and the benzene molecule, by using pseudopotentials for the…
We develop a model of molecular binding based on the Bohr-Sommerfeld description of atoms together with a constraint taken from conventional quantum mechanics. The model can describe the binding energy curves of H2, H3 and other molecules…
This paper reports NMR measurements of the magnetic dipole moments of two high-K isomers, the 37/2$^-$, 51.4 m, 2740 keV state in $^{\rm 177}$Hf and the 8$^-$, 5.5 h, 1142 keV state in $^{\rm 180}$Hf by the method of on-line nuclear…
Studies of models of current flow behaviour in Electrical Impedance Tomography (EIT) have shown that the current density distribution varies extremely rapidly near the edge of the electrodes used in the technique. This behaviour imposes…
The treatment of atomic anions with Kohn-Sham density functional theory (DFT) has long been controversial since the highest occupied molecular orbital (HOMO) energy, $E_{HOMO}$, is often calculated to be positive with most approximate…
We develop a low-energy continuum model for phonons in twisted moir\'e bilayers, based on a configuration-space approach. In this approach, interatomic force constants are obtained from density functional theory (DFT) calculations of…
Coupled colloidal quantum dot molecules composed of two fused CdSe/CdS core/shell sphere monomers were recently presented. Upon fusion, the potential energy landscape is changing into two quantum dots separated by a pre-tuned potential…
We demonstrate operation of a small Fabry-Perot interferometer in which highly coherent Aharonov-Bohm oscillations are observed in the integer and fractional quantum Hall regimes. Using a novel heterostructure design, Coulomb effects are…
Precise calculations of the coexistence-curve diameters of a hard-core square-we ll (HCSW) fluid and the restricted primitive model (RPM) electrolyte exhibit mar ked deviations from rectilinear behavior. The HCSW diameter displays a…
The present review includes the description of theoretical methods for the investigations of the spectra of hydrogen-like systems. Various versions of the quasipotential approach and the method of the effective Dirac equation are…
The electronic properties of bilayer graphene with a magnetic quantum dot and a magnetic quantum ring are investigated. The eigenenergies and wavefunctions of quasiparticle states are calculated analytically by solving decoupled…