表面等离极化激元对电荷输运影响的自洽场理论研究Ⅱ——MIM体系分子轨道场的计算与分析

采用自洽场方法计算MIM体系在电场作用下分子场系数、态密度和局域电子态密度的变化.结果表明，分子场系数分布呈现弦函数形式；随电场增大，能带向深能量延伸并且能级峰间分离的更明显，以及构成电流通道的3d_m群原子轨道交叠态的重叠量增大，提高 了电荷输运的能力.该分析为探讨SPP对电荷输运影响的建立奠定了基础. 关键词： 分子轨道场系数 电流通道 态密度 局域电子态密度     

Absorption and Recurrence Spectra of Nonhydrogenic Rydberg Atom Near a Metal Surface

Multielectron to theoretical treatments atoms near a metal surface are essentially more complicated than hydrogen atom with regard By using the semicalssical dosed orbit theory generalized to the multielecton atoms, we study the dynamical properties of the Rydberg lithium atom near a metal surface. The photoabsorption spectra and recurrence spectra of this system have also been calculated. Considering the effect of the ionic core potential of the Rydberg lithium atom, the number of the closed orbits increases, which leads to more peaks in the recurrence spectra than the case of hydrogen atom near a metal surface. This result shows that the core-scattered effects play an important role in nonhydrogenic atoms. This study is a new application of the closed-orbit theory and is of potential experimental interest.     

Performance of a four‐element Si drift detector for X‐ray absorption fine‐structure spectroscopy: resolution, maximum count rate,and dead‐time correction with incorporation into the ATHENA data analysis software

The performance of a four‐element Si drift detector for energy‐dispersive fluorescence‐yield X‐ray absorption fine‐structure measurements is reported, operating at the National Institute of Standards and Technology beamline X23A2 at the National Synchrotron Light Source. The detector can acquire X‐ray absorption fine‐structure spectra with a throughput exceeding 4 × 10⁵ counts per second per detector element (>1.6 × 10⁶ total counts per second summed over all four channels). At this count rate the resolution at 6 keV is approximately 220 eV, which adequately resolves the Mn Kα and Kβ fluorescence lines. Accurate dead‐time correction is demonstrated, and it has been incorporated into the ATHENA data analysis program. To maintain counting efficiency and high signal to background, it is suggested that the incoming count rate should not exceed ～70% of the maximum throughput.     

分光仪测衍射光栅常量的实验设计与数据处理

不等精密度测量在实验中是很普遍的现象,而在现行的本科基础实验教学中对此的强调是不足的.本文以分光仪测衍射光栅常量的实验为例,针对光学实验在设计与数据处理上强化不等精密度测量进行探索研究.     

HNO分子基态的结构与解析势能函数研究

应用群论及原子分子反应静力学的方法, 导出了HNO分子基态电子态和合理的离解极限.利用优选出的密度泛函理论B3LYP方法结合6-311G **优化计算了HNO分子基态的平衡结构和谐振频率.计算结果表明基态HNO分子稳定态为C_S构型,电子组态为X¹A',平衡核间距分别为R_H-N=0.1065 nm,R_N-O=0.1200 nm,键角∠H-N-O=108.60°,离解能D_e=15.379 eV.基态简正振动频率分别为:弯曲振动频率ν₁=1575.6351 cm^-1,对称伸缩振动频率ν₂=1673.2890 cm^-1,反对称伸缩振动频率ν₃=2837.7856 cm^-1.在此基础上,应用多体项展式理论导出了基态HNO分子的全空间解析势能函数,该势能函数等值势能图准确再现了HNO分子平衡结构和离解能. 关键词： 势能函数 光谱常数 密度泛函方法     

Combining GPS carrier phase and Doppler observations for precise velocity determination

The truncation error and propagation error are analyzed for velocity determination through differential GPS carrier phase observations,and an approach for the choice of the best number of points for the central difference method is developed.In order to overcome the disadvantages of existing GPS velocity determination methods,a new velocity determination algorithm is presented,based on combining carrier phase and Doppler observations.The basic idea is that two types of observation are combined by adding the...     

合成孔径雷达光学处理器的检测方法

本文以一个通用合成孔径雷达光学处理器(简称OSARP)的检测为例,来说明OSARP的检测方法。给出OSARP的每个可调部件与合成孔径雷达(简称SAR)数据片的各特征参数间的关系,通过测量调整量求得OSARP的适用范围;用普通检测目标加位移透镜,来检测OSARP的成像质量。同时用模拟的SAR数据片,以另一种方法对OSARP做检测,结果相同。最后处理了真实SAR数据片,用来展示SAR和OSARP的综合成像质量。文中给出一些实验照片和数据,结果表明,本检测方法是可行的。     

飞行器气动参数辨识进展

飞行器气动参数辨识研究的主题,是应用系统辨识技术从飞行试验数据求取气动力,从而建立飞行器动力学系统的数学模型.它研究的对象是飞行器;解决的是空气动力学问题;采用的基本方程是飞行动力学的运动方程组;应用的研究手段是现代控制论的滤波、预测和估计理论.它是处于空气动力学、飞行力学、弹性力学和现代控制论之间的应用性研究课题. 本文综述了国内外公开发表的飞行器参数辨识研究的理论结果和实践经验,分八个专题——模型辨识,参数估计,数据预处理和相容性检验,试验设计与最佳输入,弹性与非定常效应,频域辨识,闭环辨识,辨识准度与系统验证——评述其研究进展和现状.      

激波风洞信号测量仪

本文叙述了一种用于激波风洞实验研究中的以微机为基础的多功能智能测量仪表,叙述了其构成部分和性能、硬件结构和原理、软件编制以及将BASIC程序写入EPROM的过程。     

一种基于复数域微分的资料同化新方法

提出了一种基于复数域微分的资料同化新方法. 针对变分资料同化中目标泛函梯度计算复杂和精度不高的问题, 首先利用复变量求导法把梯度分析过程转化为复变泛函的数值计算, 进而高效和高精度地获得梯度值; 然后结合经典的最优化方法, 给出了非线性物理系统资料同化问题的新求解算法; 最后对典型混沌系统和包含“开关”现象的单格点比湿发展方程进行了资料同化数值实验, 结果表明新方法能非常有效地估计出非线性动力预报模式的初始条件. 关键词： 资料同化 复数域微分 非线性物理系统 梯度分析