An effective quantum defect theory for the diamagnetic spectrum of a barium Rydberg atom

A theoretical calculation is carried out to investigate the spectrum of a barium Rydberg atom in an external magnetic field. Using an effective approach incorporating quantum defect into the centrifugal term in the Hamiltonian, we reexamine the reported spectrum of the barium Rydberg atom in a magnetic field of 2.89 T [J. Phys. B 28 L537 (1995)]. Our calculation employs B-spline basis expansion and complex coordinate rotation techniques. For single photon absorption from the ground 6s2 to 6snp Rydberg states, the spectrum is not influenced by quantum defects of channels ns and nd. The calculation is in agreement with the experimental observations until the energy reaches E = 60 cm-1 . Beyond this energy, closer to the threshold, the calculated and experimental results do not agree with each other. Possible reasons for their discrepancies are discussed. Our study affirms an energy range where the diamagnetic spectrum of the barium atom can be explained thoroughly using a hydrogen model potential.     

Energy levels of ls2n d （n ≤ 9） states for lithium-like ions

The full-core plus correlation method with multi-configuration interaction wave functions is extended to the calcu- lation of the non-relativistic energies of ls2nd （n ≤9） states for the lithium isoelectronic sequence from Z = 11 to 20. Relativistic and mass-polarization effects on the energy are calculated as the first-order perturbation correction. The quantum-electrodynamics correction is also included. The fine structure splittings are determined from the expectation values of spin-orbit and spin-other-orbit interaction operators in the Pauli-Breit approximation. Combining the term energies of lowly excited states obtained with the quantum defects calculated by the single channel quantum defect theory, each of which is a smooth function of energy and approximated by a weakly varying function of energy, the ion potentials of highly excited states （n ≥ 6） are obtained with the semi-empirical iteration method. The results are compared with experimental data in the literature and found to be closely consistent with the regularity.     

Energy levels of 1s~2n d(n≤9)states for lithium-like ions

The full-core plus correlation method with multi-configuration interaction wave functions is extended to the calculation of the non-relativistic energies of 1s²nd (n ≤ 9) states for the lithium isoelectronic sequence from Z = 11 to 20. Relativistic and mass-polarization effects on the energy are calculated as the first-order perturbation correction. The quantum-electrodynamics correction is also included. The fine structure splittings are determined from the expectation values of spin—orbit and spin—other-orbit interaction operators in the Pauli—Breit approximation. Combining the term energies of lowly excited states obtained with the quantum defects calculated by the single channel quantum defect theory, each of which is a smooth function of energy and approximated by a weakly varying function of energy, the ion potentials of highly excited states (n ≤ 6) are obtained with the semi-empirical iteration method. The results are compared with experimental data in the literature and found to be closely consistent with the regularity.     

Theoretical study on 2s2p^6np Rydberg states of Cu^19＋ ion

We report on the calculations of transition wavelengths and weighted oscillator strengths for 2s 2 2p 6-2s2p 6 np （4≤n≤20） electric dipole （E1） transitions of Cu 19+ ion.The flexible atomic code （FAC） has been adopted for the calculations.Comparisons are made with the experimental data available,showing that the present results for 4 ≤n≤6 are more accurate than the previous calculated values.Furthermore,combining the quantum defect theory （QDT） with the transition energies of 2s22p～6-2s2p～6np,the quantum defects for 2s2p 6 np Rydberg series of Cu～（19+）ion are determined.In addition,the energies of any highly excited states （n>20） for this series can be reliably predicted using the QDT and the given quantum defects.The ionization energies for Cu¹⁹⁺ and Cu²⁰⁺ ions are also calculated and they excellently accord with previous experimental and calculated values.     

Francis Bitter and “Landau diamagnetism”

A forgotten paper by Francis Bitter on the diamagnetism of a quantum electron gas, published in 1930, is discussed. By an approximate method, later considered unsatisfactory, Bitter obtained a result qualitatively similar to the standard formula first established by Landau in the same year. Editor's note: This paper is intended as an historical note and is published in keeping with our policy of publishing such documentary material from time to time. 3 See, for example, the obituary in theNew York Times, July 27, 1967.     

强磁场中Rydberg NO分子的回归谱研究

利用分子的闭合轨道理论和多通道量子亏损理论,考虑核的转动影响,计算了Rydberg NO分子在外磁场中的回归谱.研究表明,复杂谱的结构可以用包含分子实散射的闭合轨道理论来解释,不管是同一通道内的弹性散射还是不同通道间的非弹性散射都起着非常重要的作用,尤其是较大标度作用量下,散射作用远大于基本轨道和重复轨道的贡献,很大程度上影响着体系的动力学性质。     

Spectral decomposition at a complex laser polarization configuration

We study the role of laser polarization in the diamagnetic spectrum for the transition from the ground state to the highly excited Rydberg states through a single photon absorption. For simplicity, one usually polarizes the irradiation laser to the selected main quantum axis, which is along the applied external electric or magnetic field. The transition selection rule is simply expressed as m = 0, which corresponds to the π transition. When the polarization is circularly polarized around the main axis, the σ+ or σ- transition occurs, corresponding to the selection rule of m = 1 or m = 1, respectively. A slightly more complex case is that the laser is linearly polarized perpendicular to the main axis. The numerical calculation shows that we can decompose the transition into the sum of σ+ and σ- transitions, it is noted as the σ transition. For the more complex case in which the laser is linearly polarized with an arbitrary angle with respect to the main axis, we have to decompose the polarization into one along the main axis and the other one perpendicular to the main axis. They correspond to π and σ transitions, respectively. We demonstrate that these transitions in the diamagnetic spectrum and the above spectral decomposition well explain the experimentally observed spectra.     

激光产生的等离子体透射谱模拟

根据细致组态方法,采用不分辨的跃迁矩阵模型(UTA) 在组态平均近似下可以容易地计算由高功率激光产生的局域热动平衡状态下的等离子体的不透明度。 采用量子亏损理论计算在激光产生的中Z和高Z元素的等离子体中的高主量子数组态的UTA参数,可节省了大量的计算时间,采用全相对论处理的方法可以快速地计算任何高Z元素等离子体的不透明度。还可以很方便地确定最重要组态以及细致地分析跃迁矩阵。     

用可见光谱测量HL—1M等离子体的旋转速度

用ＳＫＤ高分辨光谱仪测量系统测量了ＣⅢ、ＣⅡ、ＯⅡ及Ｈａ等谱线辐射的多勒位移,给出了ＨＬ－１Ｍ托卡马克等离子体旋转速度,结果表明：环向旋转速度ｖψ右到２２ｋｍ·ｓ＾－１,角向旋转速度ｖθ在等离子体内部与电子逆磁漂移方向同向,在ｒ＝２２ｃｍ附近转变为离子逆磁漂移方向,存在极大值９．６ｋｍ·ｓ＾－１,氢弹丸注入时角向旋转反向,在接近孔栏处又变为电子逆磁漂移方向。激光吹气注入杂质时,ｖθ减小。低杂波注入     

铥原子收敛于4f13(2F7/2o)6s(7/2,1/2)4o和4f13(2F7/2o)6s(7/2,1/2)3o偶宇称里德伯系列能级的电子关联效应

本文在多通道量子亏损理论框架下,利用相对论多通道理论,计算了铥原子收敛于4f¹³（²F_7/2^o）6s（7/2,1/2）₄^o和4f¹³（²F_7/2^o）6s（7/2,1/2）₃^o的三个偶宇称里德伯系列.通过将计算结果与美国国家标准与技术研究院数据进行比较,展示了两种类型的电子关联效应：1）里德伯系列之间的相互作用,导致里德伯系列的能级出现整体偏移;2）一个孤立的干扰态镶嵌在一个里德伯系列中,破坏了该里德伯系列能级的规则性.     

分子超激发态结构的理论研究：F2离子对解离效率谱研究

在量子数亏损理论框架下,利用多重散射自洽场方法和Feynman传播子算法研究了高分辨的F2分子超激发态结构;该超激发态能够解离为正负离子对F+(3P2,1,0)+F-(1S0).理论分析能够清楚地标识其振动分辨谱,并很好地与实验测量符合.文章还阐述了发展分子超激发态结构研究的前景.     

激光产生的等离子体透射谱模拟

 根据细致组态方法,采用不分辨的跃迁矩阵模型(UTA) 在组态平均近似下可以容易地计算由高功率激光产生的局域热动平衡状态下的等离子体的不透明度。 采用量子亏损理论计算在激光产生的中Z和高Z元素的等离子体中的高主量子数组态的UTA参数,可节省了大量的计算时间,采用全相对论处理的方法可以快速地计算任何高Z元素等离子体的不透明度。还可以很方便地确定最重要组态以及细致地分析跃迁矩阵。     

Mg原子3p3/2nd系列自电离分支比的研究

利用多通道量子亏损理论(MQDT),结合已知的K矩阵,研究了受实验条件限制目前无法得到的Mg原子3p3/2nd(J=1,3)系列的自电离分支比,同时对3pnd系列的部分自电离光谱作了计算,并取得了和实验比较吻合的结果。结合分支比研究结果探讨了Mg原子的能级结构特点及粒子数反转的可能性     

一价镧离子高n里德伯态

基于五步激光共振激发,经由中间态(Xe) 5d6d~3F_2的一价镧离子光谱,分析了该实验谱,确定了一价镧离子一强一弱两个自电离里德伯系列.同时利用多通道量子亏损理论(MQDT)框架下的相对论多通道理论(RMCT)计算,标识了这两个自电离里德伯系列,强的自电离里德伯系列标识为5dnp(5/2,1/2)_3和/或5dnp(5/2,1/2)_2,弱系列标识为为5dnf(5/2,5/2)_3和/或5dnf(5/2,5/2)_2.根据实验谱峰数据,发现有效量子数很高时,里德伯和自电离里德伯能级量子数亏损随激发能量不平滑变化,并分析了可能的原因.     

Relativistic multichannel treatment of autoionization Rydberg series of 4s^2nf（n=4- 23）J^π -（7/2）° for scandium

Based on relativistic multichannel theory, this paper calculates the energy levels of autoionization Rydberg series 4s^2nf（n=4- 23）J^π -（7/2）° of scandium at different levels of approximation within the framework of multichannel quantum defect theory. The present results show that the dipole polarizations play an important role. Considering the dynamical dipole polarization effects, this paper finds that the difference between calculated and experimental quantum defects for the 4s^2nf（n=4- 23）J^π -（7/2）° series is generally about 0.01- 0.03. Furthermore, the reason that 4s^216f is obscured in experimental spectra is suggested to be the interaction with the neighbouring resonance state converged to 3d^2（^1G4） of Sc^＋.     

分子超激发态的理论研究：F2分子离子对解离效率谱的标识及强度

在量子数亏损理论框架下,应用多重散射自洽场方法和含时波包演化法研究了F₂分子经过超激发态发生离子对解离产生的F^-离子产生效率谱.根据我们的计算,可以给出清楚的标识,并且对实验谱的相对强度可以给出初步说明.关键词：量子数亏损理论超激发态离子对解离     

钡原子6p3/2ns自电离里德伯态的研究

用激光多步激发技术研究了处于6p1/2电离限以下的6p3/2ns自电离态的光谱。 并利用最新的R矩阵的计算结果, 结合多通道量子亏损理论进行了理论分析。 理论结果与实验光谱相符合。     

Energy levels of perturbed 6p<Emphasis Type="Italic">n</Emphasis>d <Emphasis Type="Italic">J</Emphasis>=2 Rydberg states of Pb I by multichannel quantum defect theory

Energy levels of the odd-parity 6pnd J=2 Rydberg states of atomic lead are analyzed by the multichannel quantum defect theory (MQDT) with previous experimental energy levels. The obtained. Using these parameters, admixture coefficients for each level are calculated to designate the level denotations. The results show that strong channel mixings exist for the levels near the 6pnd (3/2)[5/2]₂ ⁰ and 6p6d (3/2)[3/2]₂ ⁰ pertubers. The five-channel model different from that in literature is used to predict 21 energy positions of 6pnd (1/2)[3/2]₂ ⁰ levels and to determine the denotations of all the 6pnd J=2 Rydberg states under 59788 cm⁻¹ for Pb I.