Understanding the underlying physical principles that determine the internal structure of objects at the atomic scale is critical for the advancement of nanoscale science. We have performed synchrotron x-ray diffraction studies to determine the structural properties of smooth Pb films with varying thicknesses of 6 to 18 monolayers deposited on a Si(111) substrate at 110 K. We observe quasibilay...

The atomic and electronic structure of positively charged P vacancies on InP(110) surfaces is determined by combining scanning tunneling microscopy, photoelectron spectroscopy, and density-functional theory calculations. The vacancy exhibits a nonsymmetric rebonded atomic configuration with a charge transfer level 0.75+/-0.1 eV above the valence band maximum. The scanning tunneling microscopy (...

Recent ineleastic electron-proton scattering experiments have led to rather accurate values for the N → ∆ transition quadrupole moment Q N →∆. The experimental results imply a prolate (cigar-shaped) intrinsic deformation of the nucleon. The nonsphericity of the proton's charge distribution might be seen in the spectrum of atomic hydrogen. The possibilities and limitations for determining the ge...

The performance of commonly used correlation and exchange-correlation functionals has been studied for highly charged atomic ions. Calculated energies have been compared with exact nonrelativistic energies of atomic species with 2–18 electrons for nuclei from Z 2 He to Z 26 Ni . It is found that all density functionals considered here reveal problems in the description of correlation effects as...

Energy Conservation: Particles (mass, momentum); Asymmetric Energy Forms Mass/Atomic Matter, Momentum; Bound EM Energy (asymmetric energy forms no antimatter) E = mcc; hv = mcc Time/History; Causality; "Karma"; Spacetime Metric; Entropic/Causal Conservation Domain of Matter; Time is Created From Space by Gravity, Producing "Spacetime" Hyperons, Nucleons, Baryons, Mesons, Quarks; Atomic Nucleus;...

Atomic layer deposition of alumina enhanced the molecule sensing characteristics of fabricated nanopores by fine-tuning their surface properties, reducing 1/f noise, neutralizing surface charge to favor capture of DNA and other negative polyelectrolytes, and controlling the diameter and aspect ratio of the pores with near single Ångstrom precision. The control over the chemical and physical nat...

Energy Conservation: Particles (mass, momentum); Asymmetric Energy Forms Mass/Atomic Matter, Momentum; Bound EM Energy (asymmetric energy forms no antimatter) E = mcc; hv = mcc Time/History; Causality; "Karma"; Spacetime Metric; Entropic/Causal Conservation Domain of Matter; Time is Created From Space by Gravity, Producing "Spacetime" Hyperons, Nucleons, Baryons, Mesons, Quarks; Atomic Nucleus;...

We introduce a method for obtaining atomic point-charges that yield accurate representations of the electrostatic potentials (ESP) of large systems. The method relies on a decomposition of the density and subsequent projection of the multipole moments of the density components onto neighbouring atomic sites. The resulting local multipole-derived charges (LMDCs) are well-defined, do not require ...

The cause of helical symmetry breaking of the nanotube is a combination of the Coulomb potentials of the partial charges of the atoms of single stranded DNA and the electrons on the SWNT itself, moving in the field of the DNA. Table 1 shows partial atomic charges for a specific DNA base. Since many atomic charges are small and partially cancel the effects of nearby charges, we often approximate...

In the present work, the structural and electronic properties, and conductivity of (5,5) and (6,6) Single Walled Carbon Nanotubes in the ground state have done by using the Hartree-Fock and density functional theory DFT-B3LYP/6-31G* level. Delocalization of charge density between the bonding or lone pair and antibonding orbitals calculated by NBO (natural bond orbital) analysis. These methods a...