任意温度密度下的原子结构计算

本文用含有电子自作用修正的TF势求解了任意温度物质密度下的Schrodinger波动方程。为了能够处理相对论效应,波动方程中又引入了质速修正项和Darwin项以及自旋-轨道耦合修正项。本文着重计算了Fe、Rb在几种温度密度下的情况,并在表中给出了计算结果与更准确结果的比较。用现行方法获得的数据与HFS方法的结果也是可以媲美的。     

用冲击压缩数据计算物质结合能的一个简便解析方法

 在材料性质满足：（1）可用波恩-迈耶势描述其结合能；（2）自由电子对热能的贡献可忽略不计；以及（3）冲击波速度关系式可用直线关系描述的条件下，本文导出了一个用冲击绝热线数据直接计算该材料结合能和格临爱森物态方程的简便解析公式。给出了用本文方法计算Be，Al，Cu，Ta，U等十七种金属的冷能和冷压方程的结果。将本文结果与徐锡申等和Zharkov等的数值计算结果相比较，发现在冲击压缩测量的实验误差范围内，大多数金属的符合程度是比较好的，但Be，Ni和Pb三种金属除外。本文中对上述偏差的可能原因也做了讨论。     

Control of soliton characteristics of the condensate by an arbitrary x-dependent external potential

This paper presents a family of soliton solutions of the one-dimensional nonlinear Schrdinger equation which describes the dynamics of the dark solitons in Bose-Einstein condensates with an arbitrary x-dependent external potential.The obtained results show that the external potential has an important effect on the dark soliton dynamical characteristics of the condensates.The amplitude,width,and velocity of the output soliton are relative to the source position of the external potential.The smaller the amplitude of the soliton is,the narrower its width is,and the slower the soliton propagates.The collision of two dark solitons is nearly elastic.     

Approximate Solutions of the Dirac Equation for?the?Manning-Rosen Potential Including the?Spin-Orbit Coupling Term

The bound-state solutions of the Dirac equation for the Manning-Rosen potential are presented approximately for arbitrary spin-orbit quantum number κ. The energy eigenvalues and corresponding two-component spinors of the two Dirac particles are obtained in the closed form by using the framework of the spin symmetry and pseudospin symmetry concept. Two special cases κ=±1 and the Hulthén potential are briefly investigated.     

The characteristics of O＋HD （v = 0, j = 0） reaction dynamics

The analytical potential energy function of HDO is constructed at first using the many-body expansion method.The reaction dynamics of O+HD(v = 0,j = 0) in five product channels are all studied by quasi-classical trajectory(QCT) method.The results show that the long-lived complex compound HDO is the dominant product at low collision energy.With increasing collision energy,O+HD → OH+D and O+HD → OD+H exchange reactions will occur with remarkable characteristics,such as near threshold energies,different reaction probabilities,and different reaction cross sections,implying the isotopic effect between H and D.With further increasing collision energy(e.g.,up to 502.08 kJ/mol),O+HD → O+H+D will occur and induce the complete dissociation into single O,H,and D atoms.     

基态非简并导电聚合物——坐标空间研究

通过引入简并破缺项,建立了非等势垒Kronig-Penney方势阱模型,在实坐标空间中研究了基态非简并聚合物——顺式聚乙炔的基态及其激发态,并与紧束缚模型所得到的结果进行了比较.给出了体系的电子态、电荷密度等在实坐标空间的分布特征.发现在坐标空间研究可以更加准确地反映体系的电子态密度、电子空间密度分布等特征. 关键词： 聚合物 方势阱 基态 极化子     

类氢氖基态电离势随等离子体温度密度的变化

采用自洽场离子球模型,研究类氢氖基态1s的电离势随等离子体电子温度及电子密度的变化规律,计算得到基态电离势的百分偏移量随等离子体电子密度的变化关系,拟合结果表明两者的对数值满足很好的线性关系.该结果对计算等离子体电离态分布及光谱模拟具有一定意义.     

幂函数叠加势的径向薛定谔方程的解析解

研究多种正幂势函数与逆幂势函数紧密耦合条件下薛定谔径向方程解析解的求解方法.对势函数为V（r）=α₁r⁸＋α₂r³+α₃r²+β₃r^-1＋β₂r^-3＋β₁r^-4的径向薛定谔方程存在解析解的条件以及精确的解析解进行了研究. 根据量子系统波函数必须满足单值、有界和连续的标准条件,首先求出径向坐标r→∞以及r→0时的渐近解,然后采用非正则奇点邻域附近的波函数级数解法与求得的渐近解相结合,通过幂级数系数比较法得到径向薛定谔方程在势函数系数紧密耦合条件下的一系列定态波函数解析解以及相应的能级结构,并作适当讨论与结论. 关键词： 级数解法 幂势函数 径向波函数 渐近解     

The Fundamental Solutions of the Space, Space-Time Riesz Fractional Partial Differential Equations with Periodic Conditions

In this paper, the space-time Riesz fractional partial differential equations with periodic conditions are considered. The equations are obtained from the integral partial differential equation by replacing the time derivative with a Caputo fractional derivative and the space derivative with Riesz potential. The fundamental solutions of the space Riesz fractional partial differential equation (SRFPDE) and the space-time Riesz fractional partial differential equation (STRFPDE) are discussed, respectively. Using methods of Fourier series expansion and Laplace transform, we derive the explicit expressions of the fundamental solutions for the SRFPDE and the STRFPDE, respectively.     

The interfacial properties of MgCl2 films grown on a flat SiO2/Si substrate. An XPS and ISS study

The interaction between MgCl₂ and SiO₂ was investigated by X-ray photoelectron spectroscopy (XPS), ion scattering spectroscopy (ISS) and contact potential difference (CPD) measurements. A thin SiO₂ layer was grown for this purpose on a Si(1 0 0) wafer and MgCl₂ was applied on this support at room temperature by evaporation under UHV conditions. It was found that magnesium chloride is deposited molecularly on the SiO₂ substrate, growing in layers and covering uniformly the oxide surface. The interaction with the substrate is initially very weak and limited to the interfacial layer. Above 623 K, most of the molecular MgCl₂ is re-evaporated and the interfacial interaction becomes stronger, as Mg-Cl bonds in the remaining sub-monolayer chloride break and Cl atoms desorb. This leaves on the surface sub-stoichiometric MgCl_x, which interacts with oxygen atoms from the substrate to form a complex surface species. At 973 K all Cl atoms desorb and Mg remains on the surface in the form of an oxide.