Rules on pair electron correlation in MOH (M=H,Li, Na)

In this article, the transferable property of pair correlation energies of OH components is discussed for a series of OH containing compounds MOH (M=H, Li, Na). In this series of compounds, from OH free radicals through HOH, LiOH, NaOH to OH^?, both the intra‐ and interpair correlation energies and intra‐ and intershell correlation energies of the inner orbital electrons change little. The 1s$_{\mathrm{O}}^{2}$ is very much alike in all the above OH containing systems and such a pair correlation is transferable. But the interpair correlation and intrashell correlation energies of the valence electrons are large and change a lot in all systems. In MOH molecules, the OH correlation energy contribution increases with the increase of the ionic bond strength of the compound and this contribution is always between the correlation energy values of OH free radicals and OH^? atomic groups. For strong ionic compounds, we present a very simple method to estimate the correlation energy by adding the correlation energies of its component ions within the chemical accuracy (2 kcal/mol). © 2001 John Wiley & Sons, Inc. Int J Quant Chem 83: 311–317, 2001     

Transfer ionization cross-sections measured in collisions of highly charged argon ions with neon target

: Multiple electron transfer processes are studied for Arq+n- Ne (q= 8, 9, 11, 12) collisions by using multi-parameter coincidence techniques. Various electron transfer processes are identified experimentally and the related cross-sections are measured. The dependence of transfer ionization cross-sections on the recoil charge states is compared with the results from the modified molecular classical overbarrier model. It is found that the modified model described the experimental results reasonably.     

Infinitely many solutions of dirichlet problem for <Emphasis Type="Italic">p</Emphasis>-mean curvature operator

The existence of infinitely many solutions of the following Dirichlet problem for p-mean curvature operator: is considered, where Θ is a bounded domain in R ⁿ (n>p>1) with smooth boundary ∂Θ. Under some natural conditions together with some conditions weaker than (AR) condition, we prove that the above problem has infinitely many solutions by a symmetric version of the Mountain Pass Theorem if . Supported by the National Natural Science Foundation of China (10171032) and the Guangdong Provincial Natural Science Foundation (011606).     

A Point Balance Algorithm for the Spherical Code Problem

The Spherical Code (SC) problem has many important applications in such fields as physics, molecular biology, signal transmission, chemistry, engineering and mathematics. This paper presents a bilevel optimization formulation of the SC problem. Based on this formulation, the concept of balanced spherical code is introduced and a new approach, the Point Balance Algorithm (PBA), is presented to search for a 1-balanced spherical code. Since an optimal solution of the SC problem (an extremal spherical code) must be a 1-balanced spherical code, PBA can be applied easily to search for an extremal spherical code. In addition, given a certain criterion, PBA can generate efficiently an approximate optimal spherical code on a sphere in the n-dimensional space ⁿ. Some implementation issues of PBA are discussed and putative global optimal solutions of the Fekete problem in 3, 4 and 5-dimensional space are also reported. Finally, an open question about the geometry of Fekete points on the unit sphere in the 3-dimensional space is posed.     

Nanoscopic study of second-harmonic generation in organic crystals with collection-mode near-field scanning optical microscopy

Collection-mode near-field scanning optical microscopy (NSOM) is used to map nanoscopic second-harmonic generation (SHG) in N -(4-nitrophenyl)- (L) -prolinol crystals. A spatial resolution of 98 nm is achieved. Near-field polarization-dependent SHG measurement is performed, and a local effective SHG susceptibility of 224+/-18 pm/V is obtained.     

Analysis of planar waveguides with index discontinuity or index slope discontinuity

In this paper, we propose a novel analytic transfer matrix method (ATMM) to the analysis of planar waveguides with index discontinuity or index slope discontinuity, for the cases when the conventional WKB method is no longer valid. We also analyze the physical insight of the approximations in WKB theory, and according to our research, the phase shift at the turning point is not /2, but exactly . Test calculations are done for an index profile with a known solution and the comparison shows that our method gives extremely accurate propagation constant.     

A note on Hamilton sequences for extremal Beltrami coefficients

F. P. Gardiner gave a sufficient condition for a sequence to be a Hamilton sequence for an extremal Beltrami coefficient. In this note, we shall consider the converse problem, proving that the condition is not necessary.

     

Superconducting gap anisotropy in Nd1.85Ce0.15CuO4: results from photoemission

We have performed angle resolved photoelectron spectroscopy on the electron doped cuprate superconductor Nd1.85Ce0.15CuO4. A comparison of the leading edge midpoints between the superconducting and normal states reveals a small, but finite shift of 1.5-2 meV near the ( pi,0) position, but no observable shift along the zone diagonal near ( pi/2, pi/2). This is interpreted as evidence for an anisotropic superconducting gap in the electron doped materials, which is consistent with the presence of d-wave superconducting order in this cuprate superconductor.     

Motional effect in surface sum-frequency vibrational spectroscopy

Fast orientational motion of molecules at a surface can affect the sum-frequency vibrational spectra of the surface. Calculation shows that the effect is significant if the molecular orientation varies over a broad range within the vibrational relaxation time. The stretch vibration of the free OH bonds at the vapor/water interface is used to illustrate the importance of the effect.