类镍W46+、Au51+偶极跃迁的相对论多组态计算

本文基于全相对论Dirac-Fock方法，分别用GRASPO和GRASP2原子结构程序包计算了金和钨的类镍离子3d^10-3d^94p、3d10-3d^94f、3p^63d^10-3p^53d^104s和3p^63d^10-3p^53d^104d之间的电偶极跃迁波长和振子强度，得到与实验相一致的结果；同时分析了组态相互作用和有限核体积分布效应对高Z高剥离态多荷电离子的原子结构参数的影响。     

类铜Au50+精细结构能级和光谱跃迁的相对论多组态计算

用相对论多组态方法计算了类铜离子Au⁵⁰⁺的精细结构能级和光谱跃迁参数，所得结果很接近实验值．通过对组态选取、有限核模型、Ｂｒｅｉｔ修正和量子电动力学（ＱＥＤ）效应的分析，指出该体系中存在更为明显的ＱＥＤ效应，使４ｓ—４ｐ跃迁波长的计算精度有了很大的提高 关键词：     

金等离子体中Au51+能级寿命的相对论多组态计算

根据扩展的相对论多组态 Dirac-Fock理论,采用"多功能相对论原子结构程序(Grasp2) ",选用二参数Fermi有限核模型计算类镍Au51+ 的能级寿命和能级宽度及光谱跃迁波长、跃迁几率和振子强度,计算所得波长值与实验值符合得很好,能级寿命与能级宽度的大小关系符合海森堡的能量与时间测不准原理.     

类锂离子(Z=3～100)磁偶和电偶的跃迁几率和能级间隔的相对论计算

采用全相对论多组态Dirac-Fock方法，分别计算了类锂离子（Z＝3－100)的磁偶跃迁1s^23s^2S1/2→1s^22s^2S1/2和电偶跃迁1s^2p^2P1/2→1s^22s^2S1/2的能级间隔，QED贡献和跃迁几率，比较了两者的参数与核电荷数Z的关系的差异，认为原子序数很大时，磁偶跃迁几率不能忽视。     

类镍Au~(51+)离子电子碰撞激发特性的研究

利用全相对论扭曲波方法和研究电子碰撞激发过程的计算程序REIE06系统计算了类镍Au~(51+)离子从基态(3s~23p~63d~(10))n=3壳层3 l(l=s、p、d)电子激发到4 l、5 l(l=s、p、d、f)的碰撞激发强度和截面,研究了在不同入射电子能量下截面的变化规律,通过对类镍Au51+离子涉及X射线激光跃迁的相关能级电子碰撞激发速率的计算,分析了等离子体中电子温度对碰撞过程的影响.部分计算结果与其它理论及实验结果进行了比较,取得了很好的一致性.     

类铷W37+离子双电子复合速率系数的理论研究

利用全相对论组态相互作用理论方法,研究了类铷W37+离子从基组态3s23p63d104s24p64d经过双激发态(3s23p63d104s24p64d)-1nln′l′(n,n′=4,5)的双电子复合过程,得到了该离子在温度为1~5×104 eV范围内的总双电子复合速率系数。分析比较了不同电子激发的双电子复合速率系数,结果表明:4p电子激发的双电子复合速率系数在低温时给出了主要贡献,而3d的贡献在高温时突出。由于强组态相互作用,两电子一光子跃迁对双电子复合速率系数的贡献不可忽略,其中辐射跃迁4p54d5d5f-4p64f5d的贡献是双激发态4p54d5d5f总的双电子复合速率系数的5%。对双电子复合、辐射复合以及三体复合速率系数的比较表明,在所研究的温度范围内双电子复合速率系数最大。     

类铷W37+离子双电子复合速率系数的理论研究

 利用全相对论组态相互作用理论方法,研究了类铷W³⁷⁺离子从基组态3s²3p⁶3d¹⁰4s²4p⁶4d经过双激发态(3s²3p⁶3d¹⁰4s²4p⁶4d)^-1nln′l′(n,n′=4,5)的双电子复合过程,得到了该离子在温度为1~5×10⁴ eV范围内的总双电子复合速率系数。分析比较了不同电子激发的双电子复合速率系数,结果表明:4p电子激发的双电子复合速率系数在低温时给出了主要贡献,而3d的贡献在高温时突出。由于强组态相互作用,两电子一光子跃迁对双电子复合速率系数的贡献不可忽略,其中辐射跃迁4p⁵4d5d5f-4p⁶4f5d的贡献是双激发态4p⁵4d5d5f总的双电子复合速率系数的5%。对双电子复合、辐射复合以及三体复合速率系数的比较表明,在所研究的温度范围内双电子复合速率系数最大。     

46≤Z≤55类镍离子n＝4、△n＝0跃迁的计算

通过能级的实验值与ＨＦＲ方法的理论值之差沿等电子序列进行最小二乘拟合的方法，对４６≤Ｚ≤５０的类镍离子３ｄ￣９４ｓ、３ｄ￣９４ｐ、３ｄ￣９４ｄ组态及５１≤Ｚ≤５５的类镍离子３ｄ￣９４ｄ、３ｄ￣９４ｐ组态能级进行计算。根据能级的拟合值算出相应的电偶极跃迁的谱线波长，并给出各谱线的ＨＦＲ理论振子强度。     

Soft X-ray laser emission from W46+

Using published atomic data, the populations of the excited states 1s²2s²2p⁶3s²3p⁶3d⁹4l (l= s, p, d, and f) – 1s²2s²2p⁶3s²3p⁶3d¹⁰of Ni-like W have been calculated for electron densities in the range 10²⁰–10²³ cm^-3and electron temperatures in the range 0.5–1 keV. For those transitions with positive population inversion factor, the gain coefficients are determined and plotted against the electron density.     

On the relativistic calculation of spontaneous emission

The Einstein A coefficients are calculated, in all cases of degeneracies of the Dirac transition currents, by means of the energy balance method.     

Kramers' theorem in the relativistic electronic structure calculation

In a crystal with a centre of inversion with no spin polarization present all bands of the relativistic band structure are twofold degenerate due to Kramers' theorem. This symmetry can be used to reduce the numerical expense of relativistic band structure calculations by a factor of 2. The reduction which is described in this paper does however not follow the standard lines of the group theoretical treatment of the quantum mechanical eigenvalue problem. The complication arises from the anti-unitarity of the symmetry operator.     

原子相对论波函数的平均自洽场计算

利用Dirac-Slater相对论自洽场理论研究了原子中电子的相对论波函数,说明了其主要特征:电子相对论波函数大小分量的变化趋势不完全"同步",即核外电子的分布没有严格的零几率点;通常电子相对论波函数的大小分量相差非常悬殊,但当束缚电子波函数的空间压缩较为严重、或自由电子的动能较大时,其相对论波函数的小分量的相对值就会增大,并在此基础上分析了束缚电子与自由电子波函数的主要异同点.     

LOCV calculation of nuclear matter with relativistic Hamiltonian

The equation of state of symmetric nuclear matter is calculated using the relativistic Hamiltonian (H_R) with potentials which have been fitted with the N -N scattering data using the relativistic two-body Hamiltonian ( [(v)\tilde]₁₄ \tilde{{v}}_{{14}}^{} and the non-relativistic two-body Hamiltonian, i.e. the Argonne V₁₄ interaction. The boost interaction corrections as well as the relativistic one-body and two-body kinetic energy corrections in cluster expansion energy within the lowest-order-constrained variational method are calculated. It is shown that the relativistic corrections reduce the binding energy by 1.5MeV for [(v)\tilde]₁₄ \tilde{{v}}_{{14}}^{} and AV₁₄ interactions. The symmetric nuclear-matter saturation energy is about -16.43 MeV at r \rho = 0.253 (fm^-3) with [(v)\tilde]₁₄ \tilde{{v}}_{{14}}^{} interaction plus relativistic corrections. Finally, various properties of the symmetric nuclear matter are given and a comparison is made with the other many-body calculations.     

A relativistic calculation of the deuteron threshold electrodisintegration at backward angles

Deuteron threshold electrodisintegration at backward angles is studied with a relativistic Hamiltonian, including a relativistic one-pion-exchange potential with off-shell terms. Boost effects in bound and scattering states are considered. Full Lorentz structure of the electromagnetic current is retained, which includes one- and two-body terms. Pseudovector coupling of pions to nucleons is consistently used. Cross-section results show significant relativistic corrections, even for low momentum transfer. Calculations suggest the need for including additional two-body currents.