A new proposal for the discretization of the Griffin—Wheeler—Hartree—Fock equations

A polynomial expansion is proposed as a new way to discretize the Griffin-Wheeler-Hartree-Fock equations of the Generator Coordinate Hartree-Fock method. The implementation of the polynomial expansion in the Generator Coordinate Hartree-Fock method discretizes the Griffin-Wheeler-Hartree-Fock equations through a numerical mesh which is not equally spaced. This procedure makes the optimization of Gaussian exponents in the Generator Coordinate Hartree-Fock method more flexible and more efficient. The results obtained with the polynomial expansion for atomic Hartree-Fock energies show this technique is very powerful when employed in the design of compact and high accurate Gaussian basis sets used in ab initio non-relativistic (Hartree-Fock) and relativistic (Dirac-Fock) calculations.     

COMPONENT ALLEE EFFECTS AND STAGE‐SPECIFIC PREDATION: A BRIEF INSIGHT INTO CONSERVATION AND BIOLOGICAL CONTROL ISSUES

In this paper, we propose a two‐stage structured population model subject to component Allee effects in fecundity and maturation, and with two disturbances (predation only and harvest and predation) acting on both stages. It is shown that this combination leads to a demographic Allee effect—a characteristic that could be exploited in pest biological control, but on the other hand, it represents a bane in conservation biology. The analysis is performed for disturbances with functional responses type 2 and 3, and the models show that they yield qualitatively similar results. This characteristic is discussed from the species conservation and biological control point of view, together with possible extensions of this work.     

基于多分辨分析的沪深股市相关性分析

为了有效地揭示沪深股市不同交易周期股票交易的相关性,本文采用极大重叠离散小波变换,将上证指数和深圳成指高频收益率分解在不同的交易周期上,对各个周期的收益率采用semi-GPD模型作为其边缘分布分别进行拟合,在此基础上采用Copula函数方法建立同周期收益率的联合分布,度量了沪深两市同周期交易的相关性.实证表明,不同交易周期所表现出的相关性存在明显差异,并且随着交易期的增长,沪深两市非对称结构逐步明显。     

Coherent low-frequency motions of hydrogen bonded acetic acid dimers in the liquid phase

Ultrafast vibrational dynamics of cyclic hydrogen bonded dimers and the underlying microscopic interactions are studied in temporally and spectrally resolved pump-probe experiments with 100 fs time resolution. Femtosecond excitation of the O-H and/or O-D stretching mode gives rise to pronounced changes of the O-H/O-D stretching absorption displaying both rate-like kinetic and oscillatory components. A lifetime of 200 fs is measured for the v=1 state of the O-H stretching oscillator. The strong oscillatory absorption changes are due to impulsively driven coherent wave packet motions along several low-frequency modes of the dimer between 50 and 170 cm(-1). Such wave packets generated via coherent excitation of the high-frequency O-H/O-D stretching oscillators represent a clear manifestation of the anharmonic coupling of low- and high-frequency modes. The underdamped low-frequency motions dephase on a time scale of 1-2 ps. Calculations of the vibrational potential energy surface based on density functional theory give the frequencies, anharmonic couplings, and microscopic elongations of the low-frequency modes, among them intermolecular hydrogen bond vibrations. Oscillations due to the excitonic coupling between the two O-H or O-D stretching oscillators are absent as is independently confirmed by experiments on mixed dimers with uncoupled O-H and O-D stretching oscillators.     

高分辨率多光谱数字相机电子学系统的设计

设计了一种基于多光谱技术的机载数字相机电子学系统。它包括时序产生单元、信号处理单元、信号控制单元、数据输出接口单元和数据采集存储单元等几部分。系统具有调光和行频调节功能,用以满足在不同能量状态和不同飞行高度下的成像质量。考虑到机载设备的特殊要求,对其进行了轻量化设计和机载稳定平台设计。它具有实时高速存储和实时采集数据的功能。结果表明,机载数字相机电子学系统的各种功能完全满足设计要求,为实现高分辨率探测提供了保证。     

Fluorocarbon- containing hydrophobically modified poly(N-isopropylacrylamide)

A fluorocarbon-modified poly(N-isopropylacrylamide) has been synthesized by copolymerization of N-isopropyl acrylamide with a small amount of acrylate or methacrylate containing a perfluoroalkyl group. It was found that the hydrophilicity of macromolecular backbone is an important factor to the solution properties of the copolymers and that hydrophobic association between fluorocarbon groups is stronger than that between the corresponding hydrocarbon analogies. The viscosity of some of the copolymer solutions was very sensitive to temperature. It was dilatant at higher fluorocarbon comonomer content ( > 0.20-1.0 mol%) and was Newtonian at very low fluorocarbon comonomer content (0.03-0.2 mol% ) . Evidence for hydrophobic association of the fluorocarbon groups was obtained from the effects of adding Nad and surfactants on the solution viscosity. The LC-ST properties of these copolymers were studied by DSC method and this was also found to be consistent with hydrophobic association between the fluorocarbo     

固相微萃取与高效液相色谱联用技术的进展

 较全面地评述了固相微萃取与高效液相色谱联用技术的发展与应用 ,包括该技术的原理、接口装置、涂层材料等。     

Preparation and Characterization of Zirconia-Magnesia Support Modified by Alkylphosphonic Acid for Liquid Chromatography

Interest in zirconia as a chromatography support has increased considerably recently because of its chemical inertness and its promise as a useful support. We have reported the preparation of spherical zirconia and characterization of its chromatographic behavior. However, the zirconia was found unsatisfactory for its chromatographic efficiency, probably owing to the poor pore structure of it. In this paper, we for the first time report the preparation of alkylphosphonic acid modified zirconia-magnesia stationary phase, and characterization of its structure and chromatographic behavior.