用Hellman模型势的Hypervirial-Pade方法计算碱金属原子能级

本文采用Hellman模型势,利用广义维里定理及Pade近似,计算了碱金属原子能级。根据实验值,仅选用两个势函数参数即可使多条能级弥合。     

CO2激光器的腔长调制及动力学参数的测定

采用含有振转能级在内的多能级理论模型,对CO_2激光器动力学参量进行调制,取得实验与理论一致的满意结果.利用理论与实验曲线拟合的方法,较精确地测出该激光器的动力学参数.     

锡原子奇宇称5pnd和5pns J = 1, 2 Rydberg系列的多通道量子亏损理论研究

利用多通道量子亏损理论（MQDT）,对锡原子奇宇称5pnd和5pns组态的J = 1,2简并受扰Rydberg系列能级进行了理论分析研究. 通过拟合实验能级,得到了MQDT优化参数,所得理论能级值与文献报道的实验结果符合得很好. 由算得的通道混合系数,分析讨论了通道相互作用特性,确定了所有能级的原子态命名. 本文结果有助于人们更好地了解锡原子高激发态的能级结构和组态相互作用特性.     

重离子裂变反应中的能级密度参数和裂变几率

本工作从Nilsson单粒子能级入手，计算了形变核^186Os、^187Ir、^189Os和^193Au作为激发函数的固有能级密度参数aint和有效能级密度参数（包括核集体运动效应）aelf，由这样能量相关的能级密度参数计算的理裂几率Pf（U）与本工作的裂变几率符合很好。     

Al Ⅱ~1P_1~0序列能级结构的多通道量子亏损理论分析

本文利用多通道量子亏损理论(MQDT),分析了Al II受干扰序列~1P_1~0的能级结构。分析表明,主序列3snp~1P_1~0受到了来自双激发态3p4s~1P_1~0的强烈干扰。这种相互作用使3p4s~1P_1~0分布到整个3snp~1P_1~0之中,而不再对应于一条单独的谱线。利用拟合能级实验数据所得的MQDT参数,计算了序列3snp~1P_λ~θ中n≤50的能级。对于已测得的能级,计算结果与实验值符合得很好。     

基于等离子体环境涨落的原子结构计算模型

本文将等离子体核聚变反应截面研究中利用等离子体环境涨落进行修正了的Debye-Hückel屏蔽势推广到计算等离子体中辐射离子束缚态的能级结构. 通过Tsallis参数q的变化,在等离子体辐射离子束缚态能级结构的计算中加入等离子体参数涨落的平均效应,即,等离子体动力学. 具体给出了利用修正的Debye-Hückel屏蔽势对类氦铝束缚态能级结构的计算结果. 结果表明基于这种修正的屏蔽势,自由电子的极化分布具有和线性Debye-Hückel屏蔽势不同的结构. 这种通过等离子体涨落分布对屏蔽势函数进 关键词： 等离子体中的原子结构 等离子体环境涨落 修正了的Debye-Hückel屏蔽势     

GaII能谱的多通道量子数亏损理论(MQDT)分析

本文利用多通道量子数亏损理论(MQDT),通过拟合Isberg等人新近关于Gall的实验能级数据,确定出偶宇称J=0,1,2,3和奇宇称J=1,2六个对称块的MQDT参数,预言了11个Rydberg系列离散能级的位置,并分析了各Rydbyrg系列之间的干扰情况,除个别低能级外,能级计算值与已测得的实验值符合得很好。 关键词：     

用无波函数微扰论计算双原子分子振动能级

本文利用一种新的近似计算方法—无波函数微扰论计算双原子分子振动能级,文中不仅推算出了双原子分子的非谐振动能级理论公式。而且还用它对HCL~(35)分子的振动能级做了具体的计算,通过选取适当的势能参数,理论计算值与实验结果符合得很好.     

N、△重子谱中负能级分量的作用

利用瞬时近似的Bethe-Salpeter方程,并且考虑了Dirac旋量中负能级分量对单胶子交换势的修正,对N、△重子谱进行了计算.结果发现负能级分量的考虑对势参数,尤其是对αs有显著的影响,但对整个N、△重子谱的改变不大.     

氟化镁分子电子基态和激发态振转光谱的计算

分子激光冷却是实验上产生冷分子的最重要进展之一。要找到适合做激光冷却实验的候选分子,就需要了解这些分子的结构参数和光谱数据,这些参数是选择分子的重要依据。详细计算了分子的X态和A态振动能级跃迁的Franck-Condon因子以及转动超精细能级结构,考虑到分子的核自旋、激发态寿命、跃迁能级波长、暗态等参数,提出了一种新的适合进行激光冷却的候选分子(氟化镁),选择适当的能级跃迁来构建一个准闭合的能级系统。这些参数为光谱数据的实验测量提供了理论依据,为进一步的激光冷却实验奠定了基础。     

CS5Eu(N3)8的晶场参数研究

本文根据CS5Eu(N3)8的结构,用M.Reid的程序计算了它的晶场参数和强度参数,由此得出计算光谱图,同时通过能级拟合,对晶场能级进行了指认,并给出实验中的晶场参数.对它们的对称性进行了讨论.     

Determining the excited‐state substituent constants of meta‐substituent from 3,4'‐disubstituted stilbenes

In this paper, 61 samples of 3,4'‐disubstituted stilbenes and 18 samples of 3,3'‐disubstituted stilbenes were synthesized, and their UV data were measured in anhydrous ethanol. Based on the UV absorption energy (wavenumber) of 3,4'‐disubstituted stilbenes, the excited‐state substituent constants of meta‐substituent were determined by means of curve‐fitting. The availability of was confirmed by the good correlation with the UV absorption energy of 3,4'‐disubstituted stilbenes and 4,4'‐disubstituted stilbenes. Further, using the obtained constants and the correlation equation, we calculated the UV wavenumbers of 3,3'‐disubstituted stilbenes, and the calculated wavenumbers are in good agreement with the experimental values. These results verified that the excited‐state substituent constants of meta‐substituent are reliable parameter to scale the effect of meta‐substituent on the UV absorption energy. Copyright © 2012 John Wiley & Sons, Ltd.     

YAlO3晶体中pr3+的4f2能级

YAlO3∶pr3+是一种受到广泛关注的发光体系,本文根据文献中给出的YAlO3∶pr3+晶体中Pr3+的晶体场能级,从Nd3+离子的晶体场参数和Pr3+的准自由离子参数出发,采用f-shell计算软件包对pr3+的能级参数进行了研究,并对获得的参数进行了讨论.用拟合获得的参数计算了pr3+的4f2电子构型的所有能级.     

Nonlinear arcsin‐electrodynamics

A new model of nonlinear electrodynamics with three parameters is suggested and investigated. It is shown that if the external constant magnetic field is present the phenomenon of vacuum birefringence takes place. The indices of refraction for two polarizations of electromagnetic waves, parallel and perpendicular to the magnetic induction field are calculated. The electric field of a point‐like charge is not singular at the origin and the static electric energy is finite. We have calculated the static electric energy of point‐like particles for different parameters of the model. The canonical and symmetrical Belinfante energy‐momentum tensors and dilatation current are obtained. We demonstrate that the dilatation symmetry and dual symmetry are broken in the model suggested.

     

YGG:Cr晶体的光谱特性

本文利用10K下的吸收谱,拟合计算了YGG:Cr的晶场能级,估算了黄昆因子和平均声子能量,讨论了R线随温度的红移和宽化.     

用Judd-Ofelt理论计算TmP5O14晶体中Tm3+的光谱参数

根据Judd-Ofelt理论,测得了Tm3+ 在TmP5O14晶体中的强度参数分别为Q2=:1.50×10-20cm2,Q4=1.51×10-20cm2,Q6=0.916×10-20cm2,计算的振子强度Pcal.与实验值Pexp.符合较好,平均根方误差为2.60×10-7。求得Qλ后,计算了J多重激发态之间的振子强度,自发辐射跃迁速率,辐射寿命和荧光分支出,与YAlO3:Tm3+,YAG:Tm3+、Y2O3:Tm3+等晶体和掺Tm3+玻璃的光谱参数进行了比较,并就3H4→3H6,3F4→3H5,1D2→3H4和1G4→3H4的跃迁进行了对比和讨论。观察到Tm3+在不同介质中的Pexp.与强度参数的总和∑τλ=τ2+τ4+τ6存在Pexp=α∑τλ+b的关系。     

Zeeman splitting,its specific features,and gyromagnetic ratios for configurations 1<Emphasis Type="Italic">snf</Emphasis> (<Emphasis Type="Italic">n</Emphasis> = 4–10) of the helium atom

The fine structure parameters of configurations 1snf (n = 4–10) with new refined energy values are calculated by the semiempirical method. The emphasis is on the study of the Zeeman structure in order to determine the gyromagnetic ratios of all four the levels of the configuration from the splitting. For this purpose, the matrices of an energy operator with allowance for the interaction between the atom and a magnetic field were diagonalized for all possible values of quantum number M. For each configuration, 17 values of crossing fields of the Zeeman sublevels with ΔМ = ±1, ±2 and the regions of anticrossings with ΔМ = 0 were determined. It is remarkable that, because the levels are closely spaced, anticrossings are observed for each pair of levels in these systems. The regions of linearity of a magnetic field, which are different for different configurations, and the levels in them are established. The g-factors are calculated from the coefficients of an intermediate coupling scheme in a magnetic field that is guaranteed to be linear. They are compared with the analogous values in the absence of a field.     

New study on the XeVIII spectrum

Capillary light sources were used to observe the spectrum of seven-times-ionized xenon, XeVIII, in the 300-6000 Å wavelength range. Twenty-eight energy levels belonging to the 5s-9s, 5d-9d, 5g-9g, 7i-10i, 9l, 5p-9p, 4f-9f, 6h-9h and 8k-10k configurations were adjusted and 38 new spectral lines were classified. The XeVIII ionization energy was determined with improved accuracy using the polarization model. The analysis was supported by Hartree-Fock calculations. The weighted oscillator strengths for all the observed spectral lines were also calculated considering the fitted values for the energy parameters.     

激光晶体MgO:Ni2+的DV-Xx研究

本文将我们提出的一种在DV-Xα计算过渡金属络合物电子结构的基础上计算光谱的方法用于激光晶体MgO:Ni2+的研究.首次从第一性原理出发,全面计算了该激光晶体的单电子能谱、总态密度、自旋极化分裂、电荷转移跃迁能量、特别是d-d跃迁多重光谱项能量和自旋一轨道耦合常数,得到了与实验值较一致的结果.     

类In离子的能级结构参数的研究

在全相对论理论框架下,研究了类In等电子序(Ba VIII-Nd XII)低激发态组态5s~24f和5s`25p间的光谱性质.系统地研究了Breit相互作用和量子电动力学(QED)效应对能级的影响.离子Pr~(~(10+))附近出现相对论轨道4f-5p能级交叉,窄的能级间隔可以使得跃迁波长在现代激光范围,这可能设计成原子钟.计算得到Pr~(10+)基态和激发态磁偶极和电四极超精细结构常数.目前的计算结果可以为实验测量提供理论依据.