The electron density distribution in CN−, LiCN and LiNC. The use of minimal and extended basis set SCF calculations

Electron density maps are reported for the CN−ion and the LiCN and LiNC molecules, calculated from molecular wave-functions near the Hartree-Fock limit. The electron density distribution derived from CNDO/ 2 wavefunctions does not resemble the ab initio results. The ultimate ability of a minimal basis set to represent the electron density near the Hartree-Fock limit, has been tested. The requirement of N-representability of the trial electron density has been satisfied. It is found that the molecular valence density cannot be reproduced to a satisfactory extent by a minimal set of Slater orbitals, even when the exponents of the basis orbitals are optimized

Universal lower bounds on the kinetic energy of electronic systems with noncollinear magnetism

The distribution of noncollinear magnetism in an electronic system provides information about the kinetic energy as well as some kinetic energy densities. Two different everywhere-positive kinetic densities related to the Schr\"odinger--Pauli Hamiltonian are considered. For one-electron systems described by a single Pauli spinor, the electron density, spin density and current density completely determines these kinetic energy densities. For many-electron systems, lower bounds on the kinetic energy densities are proved. These results generalize a lower bound due to von Weizs\"acker, which is based on the electron density alone and plays an important role in density functional theory. The results have applications in extensions of density functional theory that incorporate noncollinear spin densities and current densities.Comment: Physical Review A (accepted

Intermittent electron density and temperature fluctuations and associated fluxes in the Alcator C-Mod scrape-off layer

The Alcator C-Mod mirror Langmuir probe system has been used to sample data time series of fluctuating plasma parameters in the outboard mid-plane far scrape-off layer. We present a statistical analysis of one second long time series of electron density, temperature, radial electric drift velocity and the corresponding particle and electron heat fluxes. These are sampled during stationary plasma conditions in an ohmically heated, lower single null diverted discharge. The electron density and temperature are strongly correlated and feature fluctuation statistics similar to the ion saturation current. Both electron density and temperature time series are dominated by intermittent, large-amplitude burst with an exponential distribution of both burst amplitudes and waiting times between them. The characteristic time scale of the large-amplitude bursts is approximately 15{\mu}s. Large-amplitude velocity fluctuations feature a slightly faster characteristic time scale and appear at a faster rate than electron density and temperature fluctuations. Describing these time series as a superposition of uncorrelated exponential pulses, we find that probability distribution functions, power spectral densities as well as auto-correlation functions of the data time series agree well with predictions from the stochastic model. The electron particle and heat fluxes present large-amplitude fluctuations. For this low-density plasma, the radial electron heat flux is dominated by convection, that is, correlations of fluctuations in the electron density and radial velocity. Hot and dense blobs contribute approximately 6% of the total fluctuation driven heat flux

Electron density distribution and screening in rippled graphene sheets

Single-layer graphene sheets are typically characterized by long-wavelength corrugations (ripples) which can be shown to be at the origin of rather strong potentials with both scalar and vector components. We present an extensive microscopic study, based on a self-consistent Kohn-Sham-Dirac density-functional method, of the carrier density distribution in the presence of these ripple-induced external fields. We find that spatial density fluctuations are essentially controlled by the scalar component, especially in nearly-neutral graphene sheets, and that in-plane atomic displacements are as important as out-of-plane ones. The latter fact is at the origin of a complicated spatial distribution of electron-hole puddles which has no evident correlation with the out-of-plane topographic corrugations. In the range of parameters we have explored, exchange and correlation contributions to the Kohn-Sham potential seem to play a minor role.Comment: 13 pages, 13 figures, submitted. High-quality figures can be requested to the author

The shielding of external electric fields in atoms revisited

An atom, placed in an external homogeneous field, will show a complex charge distribution. The pattern of the polarization density distribution, obtained by subtracting the original electron from the one of the polarized atom, can easily be explained by considering the various orbitals. Poisson's equation relates the induced field to polarization density distribution

The Structure of Fractional Edge States: A Composite Fermion Approach

I study the structure of the two-dimensional electron gas edge in the quantum Hall regime using the composite fermion approach. The electron density distribution and the composite fermion energy spectrum are obtained numerically in Hartree approximation for bulk filling factors $\nu=1,1/3,2/3,1/5$. For a very sharp edge of the $\nu=1$ state the one-electron picture is valid. As the edge width $a$ is increased the density distribution shows features related to the fractional states and new fractional channels appear in pairs. For a very smooth edge I find quasiclassically the number of channels $p\sim\sqrt{a/l_H}$, where $l_H$ is the magnetic length.Comment: 10 pages, RevTex, 6 uuencoded figures appende

Anisotropy and periodicity in the density distribution of electrons in a quantum-well

We use low temperature near-field optical spectroscopy to image the electron density distribution in the plane of a high mobility GaAs quantum well. We find that the electrons are not randomly distributed in the plane, but rather form narrow stripes (width smaller than 150 nm) of higher electron density. The stripes are oriented along the [1-10 ] crystal direction, and are arranged in a quasi-periodic structure. We show that elongated structural mounds, which are intrinsic to molecular beam epitaxy, are responsible for the creation of this electron density texture.Comment: 10 pages, 3 figure