Xα交换参数对钠原子激发态能级的影响

基于自由电子气近似,可得到很多种不同的交换参数的理论算法.本文利用这些交换参数模型,对Na原子的主线系4p～15p的激发态能级进行了计算.通过计算结果与实验值比较,认为基于维里定理的交换参数算法应更优于其它理论模型.     

The excitation energies and term energies of the excited states 1s2ns (n=3,4,5) and 1s2nf (n=4,5) of lithium-like systems of Z=11－20

In this paper, the full-core plus correlation (FCPC) and the Ritz method is extended to calculate the non-relativistic energies of 1s^2ns (n=3,4,5) and 1s^2nf (n=4,5) states and the wavefunctions of the lithium-like systems from Z=11－20. The mass-polarization and the relativistic correction including the kinetic-energy correction, the Darwin term, the electron－electron contact term, and the orbit－orbit interaction are evaluated perturbatively as the first-order correction. The contribution from quantum electrodynamic is also included by using the effective nuclear charge formula. The excited energies, the term-energy and fine structure, are given and compared with the other theoretical calculation and experimental results. It is shown that the correlative wave in the FCPC method embodies well the strong correlation between the 1s^2 core and the valence electron.     

类锂体系(Z=21-30)基态1s22s电离能和相对论项能的理论计算

使用全实加关联方法和里兹(Ritz)变分方法计算了类锂体系(Z=21-30)基态1s22s的非相对论能量和波函数;包括动能修正、电子-电子接触项、轨道-轨道相互作用项以及Darwin项的相对论修正和质量极化项由全实加关联波函数的一阶微扰给出,量子电动力学修正QED(quantum electronic dynamic)由有效核电荷方法和类氢公式计算;给出了中等核电荷的高电离类锂体系基态的电离能、相对论效应的项能(term energy),并将计算结果与实验数据进行了比较,表明FCPC方法对于较高核电荷类锂体系结构的理论计算仍然十分有效.     

共面不对称条件下Ar原子(e,2e)反应的三重微分截面

采用修正的扭曲波玻恩近似(DWBA)方法,计算了共面、大能量损失和小动量转移这一特殊几何条件下电子碰撞Ar(3p6)(e,2e)反应的三重微分截面.理论方法对(e,2e)反应过程近程极化势进行了修正,并引入Gamow因子表示后碰撞相互作用(PCI).将计算结果与实验结果、标准DWBA计算结果及Gamow因子修正后的DWBA-G计算结果进行了比较,发现极化效应起着重要的作用.     

共面对称条件下Mg原子(e,2e)反应的三重微分截面的计算

采用修正的扭曲波玻恩近似(DWBA)方法,本文计算了共面对称几何条件下电子碰撞Mg(3s2) 原子(e,2e)反应的三重微分截面.理论方法通过引入Gamow因子来表示(e,2e)反应的后碰撞相互作用(PCI).将计算结果与实验结果及标准DWBA计算结果进行了比较,发现PCI效应起着重要的作用.     

连续态波函数归一化问题及其完备性检验

本文探讨了连续态波函数归一化问题,给出了正确、有效的归一化算法.采用改进的Numerov格式计算氢原子的连续态波函数,并利用基矢完备性条件对此进行了检验.利用最小二乘法,分别得出了束缚态部分和及连续态部分积分的渐近函数形式.并由此采用积分处理方法得到了余项的近似计算结果.     

Post-collision interactions and the polarization effect in （e, 2e） collisions of helium

A modified distorted-wave Born approximation (DWBA) method is used to calculate the triple differential cross sections (TDCSs) in a coplanar asymmetric geometry for the electron impact single ionization of a He (1s2) atom at intermediate and lower energies. The post-collision interaction and the polarization effect in (e, 2e) collisions of helium are considered in the calculations. The polarization potentials from the damping method and density functional theory (DFT) are compared. Theoretical results are compared with the recent experimental data.     

钠原子主线系精细结构的多体微扰计算

在相对论的框架下采用多体微扰理论(MBPT)方法计算了纳原子 np(n=3—9)态的能级精细结构分裂值. 为避免多体微扰计算中需要计算大量连续态的困扰, 通过引入外势的方法可以构建离散、有限和近似完备的数值基函数. 经求解相对论Hartree-Fock (RHF)方程及外势作用下的RHF方程可获得零级近似波函数和能级值. 为了使微扰展开能够收敛, 计算中用到了轨道角量子数l≤ 6的在一定能量分布范围内的中间态, 其中以在外势作用下的收缩态为主. 依此方法计算了纳原子主线系系列能级二阶微扰修正值, 同时还考虑了Breit效应的一级微扰修正对精细结构的影响. 通过与其他理论计算结果比较可看出, 本文计算结果在较大程度上更接近于实验值.     

The damage of the optical components induced by the stimulated Brillouin scattering

A theory of excitation of ultrasonic waves in the stimulated Brillouin scattering （SBS） process is presented in this paper. By using several reasonable approximations, a numerical calculation of the transient longitudinal SBS shows that large amplitude of acoustic waves can be built up by the nanosecond pulse of high-power laser, which may result in the damage of optical glasses. The maximal density change and the maximal acoustic wave intensity in optical glasses of 5cm in thickness are calculated by using different parameters of the high-energy laser, such as the intensity, the pulse width, and the wave length. The damage threshold of the optical glasses is about 80 GW/cm^2 when using a 1064 nm laser. The dynamic mechanism of SBS is the electrostriction effect of the components coupling with the high-power laser.     

Xα交换参数对钠原子激发态能级的影响

在自由电子气近似下,可得到多种不同的交换参数的理论算法.这些理论方法的优劣不能从理论上确定.本文采用SIC-Xα的过渡态算法,利用不同的Xα交换参数理论模型计算了钠原子主线系4p~15p的激发态能级,并与实验结果进行了比较.比较结果表明,在这个体系下,基于Virial定理的理论参数模型明显优于其它理论方法.由此我们找到了一种能给出较为精确的高激发态波函数的简便计算方法,而且能够为研究高激发态原子的外场效应和Rydberg原子结构的精确计算等提供基矢波函数.