Related papers: Molecular electronic structure in one-dimensional …
For a capacitor made of a semiconducting carbon nanotube (CNT) suspended above a metallic gate, Coulomb correlations between individual electrons can lead to a capacitance that is much larger than the geometric capacitance. We argue that…
It has recently been shown that identical, isotropic particles can form complex crystals and quasicrystals. In order to understand the relation between the particle interaction and the structure, which it stabilizes, the phase behavior of a…
A two-electron one-dimensional model of a heteroatomic molecule composed of two open-shell atoms is considered. Including only two electrons isolates and examines the effect that the highest occupied molecular orbital has on the Kohn-Sham…
We investigate the possible binding configurations of pairs of C60 molecules when pushed against each other. Tersoff potential, which represents intramolecular interactions well, has been used to calculate potential energies. We begin…
A novel Gaussian-Sinc mixed basis set for the calculation of the one-electron electronic structure within a uniform magnetic field in three dimensions is presented. The one-electron system is used to demonstrate the utility of this new…
Quantum dots (QD) with electric-field-controlled charge state are promising for electronics applications, e.g., digital information storage, single-electron transistors and quantum computing. Inorganic QDs consisting of semiconductor…
The classical dynamics of two electrons in the Coulomb potential of an attractive nucleus is chaotic in large parts of the high-dimensional phase space. Quantum spectra of two-electron atoms, however, exhibit structures which clearly hint…
A critical study of the wave mechanics of a particle trapped in a 1-D box having infinite potential walls and small flexibility in its size reveals its several important and hither to unknown aspects which could be relevant for better…
The dynamical response theory is used to obtain an analytical expression for the exchange energy of a quantum wire for arbitrary polarization and width. It reproduces the known form of exchange energy for 1D electron gas in the limit of…
Quasi-onedimensional stereoregular polymers as for example polyacetylene are currently of considerable interest. There are basically two different approaches for doing electronic structure calculations: One method is essentially based on…
The theorems of density functional theory (DFT) and reduced density matrix functional theory (RDMFT) establish a bijective map between the external potential of a many-body system and its electron density or one-particle reduced density…
The formation and evolution of coherent structures in a low-energy electron beam produced in a Malmberg-Penning trap is investigated by means of CCD diagnostics. The electrons are emitted from a thermionic cathode and their energy is…
Entropy alone can self-assemble hard particles into colloidal crystals of remarkable complexity whose structures are the same as atomic and molecular crystals, but with larger lattice spacings. Although particle-based molecular simulation…
The properties of hydrogen at warm dense matter (WDM) conditions are of high importance for the understanding of astrophysical objects and technological applications such as inertial confinement fusion. In this work, we present extensive…
An analysis of the structural properties of three-dimensional Coulomb clusters confined in a spherical parabolic trap is presented. Based on extensive high accuracy computer simulations the shell configurations and energies for particle…
Sufficiently high densities in Bose-Einstein condensates provide favorable conditions for the production of ultralong-range polyatomic molecules consisting of one Rydberg atom and a number of neutral ground state atoms. The chemical binding…
We consider a class of systems where, due to the large mismatch of dielectric constants, the Coulomb interaction is approximately one-dimensional. Examples include ion channels in lipid membranes and water filled nanopores in silicon or…
Under the genuinely nonlinear assumption for 1-D $n\times n$ strictly hyperbolic conservation laws, we investigate the geometric blowup of smooth solutions and the development of singularities when the small initial data fulfill the generic…
We present a theoretical formulation of the one-electron problem constrained on the surface of a cylindrical tubule with varying diameter. Because of the cylindrical symmetry, we may reduce the problem to a one-dimensional equation for each…
We briefly review the physics of electronic phases in low dimensional conductors. We begin by introducing the properties of the one-dimensional electron gas model using bosonization and renormalization group methods.We then tackle the…