Normalization and Fermi–Coulomb and Coulomb hole sum rules for approximate wave functions

For approximate wave functions, we prove the theorem that there is a one‐to‐one correspondence between the constraints of normalization and of the Fermi–Coulomb and Coulomb hole charge sum rules at each electron position. This correspondence is surprising in light of the fact that normalization depends on the probability of finding an electron at some position. In contrast, the Fermi–Coulomb hole sum rule depends on the probability of two electrons staying apart because of correlations due to the Pauli exclusion principle and Coulomb repulsion, while the Coulomb hole sum rule depends on Coulomb repulsion. We demonstrate the theorem for the ground state of the He atom by the use of two different approximate wave functions that are functionals rather than functions. The first of these wave function functionals is constructed to satisfy the constraint of normalization, and the second that of the Coulomb hole sum rule for each electron position. Each is then shown to satisfy the other corresponding sum rule. The significance of the theorem for the construction of approximate “exchange‐correlation” and “correlation” energy functionals of density functional theory is also discussed. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007     

Effect of C layer on the structures and magnetic properties of (0 0 1)-oriented [C/CoPt]n/Ag films

CoPt/Ag and [C/CoPt]n/Ag thin films have been prepared onto the glass substrates by magnetron sputtering. We investigated the evolution of texture and magnetic properties of CoPt/Ag and [C/CoPt]n/Ag films. The results show that C-doping plays an important role in improving (0 0 1) texture, improving the order parameter S, reducing the intergrain interactions, and making the magnetization reversal mechanism more close to Stoner-Wolfarth rotational mechanism. The growth mechanism of (0 0 1) texture also seems to be related strongly to the films thickness. Our results show that the highly (0 0 1)-oriented films with ordered fct phase have a significant potential for the perpendicular media of extremely high-density recording.     

p+209Bi核反应微观数据的理论计算

利用光学模型、激光模型、蒸发模型及扭曲波玻恩近似理论,对入射能量从阈能到300MeV,p+²⁰⁹Bi的中子反应截面、剩余核截面、出射粒子的多重数进行了理论计算及分析,并将计算结果与实验数据进行了比较.同时得到一组能量到50?0MeV与实验数据符合很好的光学势参数.     

非保守力学系统Nielsen方程的形式不变性

研究非保守力学系统Nielsen方程的形式不变性.给出非保守力学系统Nielsen方程的形式不变性的定义和判据,研究形式不变性和Noether对称性的关系,并举例说明结果的应用 关键词： 非保守力学系统 Nielsen方程 形式不变性 Noether对称性     

Liquid phase oxidation of p-chlorotoluene to p-chlorobenzaldehyde over cobalt-doped mesoporous titania with a crystalline framework

Cobalt-doped mesoporous titania with a crystalline framework synthesized by surfactant templating method presented highly selective (99%) and reasonable conversion rate (49%) of catalytic oxidation of para-chlorotoluene to para-chlorobenzaldehyde in acetic acid using aqueous hydrogen peroxide as oxidant for the first time. Recycling of the catalyst indicates that the catalyst can be used a number of times without losing its activity to a greater extent. By contrast, cobalt-doped mesoporous titania without a crystalline structure and cobalt doped the commercial titania, Degussa P25 prepared by impregnation method with the similar concentration of cobalt were found inactive. The effects of catalyst concentration, reaction time, reaction temperature, and solvents on the performance of the catalyst were also investigated.     

A study of the effect of ZrO2 on the magnetic properties of FePt/ZrO2 multilayer

Fe_xPt_100−x(30 nm) and [Fe_xPt_100−x(3 nm)/ZrO₂]₁₀ (x = 37, 48, 57, 63, 69) films with different ZrO₂ content were prepared by RF magnetron sputtering technique, then were annealed at 550 °C for 30 min. This work investigates the effect of ZrO₂ doping on the microstructural evolution, magnetic properties, grain size, as well as the ordering kinetics of FePt alloy films. The as-deposited films behaved a disordered state, and the ordered L1₀ structure was obtained by post-annealing. The magnetic properties of the films are changed from soft magnetism to hard magnetism after annealing. The variation of the largest coercivities of [Fe_xPt_100−x/ZrO₂]₁₀ films with the Fe atomic percentage, x and differing amounts of ZrO₂ content reveals that as we increase the ZrO₂ content we must correspondingly increase the amount of Fe. This phenomenon suggests that the Zr or O atoms of ZrO₂ preferentially react with the Fe atoms of FePt alloy to form compounds. In addition, introducing the nonmagnetic ZrO₂ can reduce the intergrain exchange interactions of the FePt/ZrO₂ films, and the interactions are decreased as the ZrO₂ content increases, the dipole interactions are observed in FePt/ZrO₂ films as the ZrO₂ content is more than 15%.     

Viscosity solutions of fully nonlinear parabolic systems

In this paper, we discuss the viscosity solutions of the weakly coupled systems of fully nonlinear second-order degenerate parabolic equations and their Cauchy-Dirichlet problem. We prove the existence, uniqueness and continuity of viscosity solution by combining Perron's method with the technique of coupled solutions. The results here generalize those in Proc. London Math. Soc. 63 (1991) 212-240 and Comm. Partial Differential Equations 16 (1991) 1095-1128.     

Canonical correlation analysis based on information theory

In this article, we propose a new canonical correlation method based on information theory. This method examines potential nonlinear relationships between p×1 vector Y-set and q×1 vector X-set. It finds canonical coefficient vectors a and b by maximizing a more general measure, the mutual information, between a^TX and b^TY. We use a permutation test to determine the pairs of the new canonical correlation variates, which requires no specific distributions for X and Y as long as one can estimate the densities of a^TX and b^TY nonparametrically. Examples illustrating the new method are presented.     

Nonvolatile photorefractive holographic recording in Sc:Ce:Cu:LiNbO3

In this paper experimental studies of nonvolatile photorefractive holographic recording in Ce:Cu:LiNbO₃ crystals doped with Sc(0,1,2,3 mol%) were carried out. The Sc:Ce:Cu:LiNbO₃ crystals were grown by the Czochralski method and oxidized in Nb₂O₅ powders. The nonvolatile holographic recording in Sc:Ce:Cu:LiNbO₃ crystals was realized by the two-photon fixed method. We found that the recording time of Sc:Ce:Cu:LiNbO₃ crystal became shorter with the increase of Sc doping concentration, especially doping with Sc(3 mol%), which exceeds the so-called threshold, and there was little loss of nonvolatile diffraction efficiencies between Sc(3 mol%):Ce:Cu:LiNbO₃ and Ce:Cu:LiNbO₃ crystals.     

A New Cytotoxic Acetogenin from the Seeds of Annona squamosa

A New Annonaceous acetogenin,squamostolide(1),was isolated from the seeds of Annona squamosa.Its structure was elucidated based on spectroscopic methods and comparison with known compounds.It is the first example of Annonaceous acetogenin with each of the two ends of the aliphatic chain bearing a γ-lactone.Thenew compound exhibited cytotoxic activity in vitro against bel-7402 and CNE2 human tumor cell lines.