X-ray absorption spectra of plasmas

In this paper we present a theoretical method to calculate the absorption spectra of hot dense plasmas. Based on our fully relativistic treatment incorporated with the quantum defect theory to handle the huge number of transition arrays from many configurations with high principal quantum number, we can calculate the absorption spectra for any element or multi-element plasmas with little computational efforts. We calculate the absorption spectra of C10H1605 plasmas, which are in good agreement with the experimental spectra. We can then provide diagnostic analysis for plasmas in relevant inertial confinement fusion (lCF) experiments; namely not only to determine plasmas' temperatures and densities, but also to provide the population densities of various ionic stages. Our theoretical method verified by "benchmark experiments" will be a basic tool to provide "precise" opacity data for the ICF research.``     

电子与原子、离子碰撞过程的相对论效应

在玻恩近似下,建立了高能电子与原子、离于非弹性碰撞过程的相对论性理论计算方法,并以类Li等电子系列为例,阐明了电子与原子、离子非弹性碰撞过程的相对论效应.它包括:1.靶原子的相对论效应,它随原子序数的增加而增大.低z靶(如Li)的相对论效应可以忽略;对Au~(+76)靶的2_3—3p跃迁,广义振子强度相对论性计算值比相应的非相对论性值小27.1%.2.入射电子的相对论效应,它随入射电子能量的增加而增大.对高能入射电子,在特殊角度,要考虑广义振子强度横场项对微分截面的影响.在极端相对论情况下,如入射电子动能 关键词：     

一步法合成N-1,3-二羟基丙烷-2-基烷基乙酰胺

以5-氨基烷基-2,2-二甲基-1,3-二噁烷为起始原料, 乙酸酐为酰化剂, 一步法选择性地合成氨基二醇类氨基乙酰化产物N-1,3-二羟基丙烷-2-基烷基乙酰胺. 该方法操作简便, 收率高. 所合成的4个新化合物的结构均经FTIR, ¹H NMR, ¹³C NMR及HRMS确证. N-3-(1,3-二羟基丙烷-2-基)丙基乙酰胺(1a)作为关键的中间体, 可以用于HIV-1 Tat/ PCAF BRD抑制剂4的合成.     

（E）-3-{4-[（3，5，6-三甲基吡嗪-2-基）甲氧基]-芳基}丙烯酸的合成

以川芎嚷为起始原料,经溴化,O-烷基化和Knoevenagel缩合反应合成了2个(E)-3-{4-[(3,5,6-三甲基吡嗪-2-基)甲氧基]-芳基}丙烯酸类化合物,其结构经1H NMR,13C NMR,IR和MS表征.     

Momentum Transfer Dependence of Two Types of the Broad Enhancement Phenomena： CO Spectra in the Valence Energy Region

Partial generalized oscillator strength densities of CO molecules related to the excitation of a 5σ or 1π electron are calculated by using multi-scattering self-consistent-field methods.Momentum transfer dependence of two types of the broad enhancement phenomena above the threshold with one-electron character,i.e. shape resonance and non-resonance enhancement,is studied.Our calculations show that the energy position of a non-resonance enhancement is related to the momentum transfer K.Therefore,electron impact based experiments can be used to identify the two types of the broad enhancement phenomena.     

Silane photoabsorption spectra mear the Si 2p thresholds：the geometry of Si 2p excited SiH4

Based on the multiple-scattering self-consistent-field method, we have studied the photoabsorption spectra near the Si 2p thresholds of silane. According to our calculations, the clear assignments of the inner-shell photoabsorption spectra are provided. In comparison with the high-resolution experimental spectra, the geometric structure of the Si 2p-excited SiH_{4}^{**} is recommended to be of a C_{2v} symmetry. More specifically, the Si 2p-excited SiH_{4}^{**} have two bond lengths of 2.50 a.u. and another two bond lengths of 2.77 a.u., and the corresponding two bond angles are 104.0° and 112.5° respectively.     

原子体系近核区电子波函数振幅(Ⅰ)——离化态原子高能光电离过程

本文具体地阐述近核区波函数和高能光电离截面的关系。根据相对论自洽场理论,计算各种离化态铁原子和铀原子的近核区波函数和光电离截面。计算结果表明:光电离截面比值函数随着光子能量的增加规则平缓变化,在光子能量约大于10¹keV以后,其和相应的近核区波函数振幅平方比的精度在千分之几的范围内。     

原子体系近核区电子波函数振幅(Ⅱ)——离化态原子近核区电子波函数振幅

本文根据相对论自洽场(Dirac-Slater)理论方法,系统地总结原子序不大于95的各离化态原子占有壳层近核区电子波函数振幅(约化归一因数)随电子壳层、原子序和电离度的变化规律。     

碱金属nf里德伯态精细结构反常物理机制的理论研究

采用相对论性多通道理论，系统地研究了碱金属ｎｆ里德伯态的精细结构．所计算的精细结构与已有的实验值（Ｌｉ和Ｎａ的是正常的，Ｒｂ和Ｃｓ的是反常的）符合得很好；目前还没有Ｋ和Ｆｒｎｆ里德伯态的精细结构的实验结果，理论计算预言：Ｋ的是正常的，Ｆｒ的是反常的．还阐明了精细结构反常的物理机制：反常是由价电子与离子实电子之间的交换相互作用引起的，是一种纯相对论效应；电子之间的关联作用对精细结构反常的影响是不重要的 关键词：     

Fr原子的激发态结构

应用自洽场理论方法,计算了Fr的里德堡态能级结构。与精确的实验比较,符合良好。还阐明了高Z元素的相对性效应,高Z元素的能级结构计算需采用相对论性理论方法。 关键词：