Breit and Quantum Electrodynamics Energy Contributions in Multielectron Atoms from the Relativistic Screened Hydrogenic Model

The correction to the Coulomb repulsion between two electrons due to the exchange of a transverse photon, referred to as the Breit interaction, as well as the main quantum electrodynamics contributions to the atomic energies (self-energy and vacuum polarization), are calculated using the recently formulated relativistic screened hydrogenic model. Comparison with the results of multiconfiguration Dirac-Hartree-Fock calculations and experimental X-ray energies is made.     

Orbital polarization in itinerant magnets

We propose a parameter-free scheme of calculation of the orbital polarization (OP) in metals, which starts with the strong-coupling limit for the screened Coulomb interactions in the random-phase approximation (RPA). For itinerant magnets, RPA can be further improved by restoring the spin polarization of the local-spin-density approximation through the local-field corrections. The OP is then computed as the self-energy correction in the static GW method, which systematically improves the orbital magnetization and the magnetic anisotropy energies in transition-metal and actinide compounds.     

Self-energy correction to the wave function in the effect of parity violation for the amplitude of the 6s–7s transition in the 133Cs atom

The quantum electrodynamic self-energy correction to the wave function in the effect of parity violation for the amplitude of the 6s–7s transition in the ¹³³Cs atom is calculated in explicit form without using the nonrelativistic approximation for the self-energy operator. The result obtained refines some previous estimates and indicates that the correction to the parity violation may be comparable with the corresponding correction to the vacuum polarization. The necessity of taking complete relativistic account of all the quantum electrodynamic corrections in calculations of the electroweak charge Q _W in atomic systems is shown.     

高电荷态类锂等电子序列(Z=31~40)1s22p态能级结构的理论计算

利用多组态Dirac-Fock方法，本文研究了高电荷态类锂等电子序列（Z=31~40）离子1s22p激发态的精细结构. 考虑高关联轨道的电子关联影响以及Breit相互作用、量子电动力学效应和原子核运动效应等高阶修正，计算了2P1/2和2P3/2精细能级的本征能量，能级劈裂结果与已有理论计算一致. 结果表明，类锂离子1s22p态精细结构劈裂满足高电荷态的等电子序列标度规律（~ Z4）；发现离子空间尺寸随着原子序数增加收缩,相对论轨道1s1/2和2p3/2的径向电荷密度分布趋向于原子核.     

Polarization of the dielectronic recombination satellites including the generalized Breit interaction effects

The polarizations of dielectronic recombination satellite lines for hydrogenlike F to U ions are calculated including the generalized Breit interaction(GBI). The calculated values of the asymmetry parameter are compared with other theoretical results and good agreements are obtained for all lines except for those from the level 2s2p3P1. The GBI effects on the polarization become much stronger as the atomic number increases. However, for different lines, the GBI effects on the polarization are different.     

Am原子及其离子Amq+(q=1~6)的K,L,M-X射线跃迁能和跃迁几率的理论研究(英文)

使用基于Dirac-Hartree-Fock方法的Grasp2K程序包,计算了Am原子及离子的K,L,M-X射线的跃迁能和跃迁速率。在计算中,包括了Breit相互作用、真空极化和自能等重要效应。目前研究结果与已有的其他实验和理论结果相对误差约为0.04%。此外,我们还首次计算了从Am1+到Am6+离子的K,L,M-X射线的跃迁能和跃迁速率。相对于中性原子,来自低离化态的跃迁能相对于中性的相应跃迁线的能量仅有轻微的偏移,这反映出外层电子几乎不影响内壳层的跃迁性质。Transition energies and rates of K, L, and M X-ray lines from electric-dipole transition of americium have been calculated using GRASP2K code based on the Dirac-Hartee-Fock method. The effects of the Breit interaction, vacuum polarization and self energy were taken into account. It is found that the present results agree within 0.04% with other experimental and theoretical values. Furthermore, we also calculated transition energies and rates of the K-, L-, and M-shell hole states of americium ions with charge states Am1+-Am6+ for the first time. It is found that the transition energies and rates change slightly relative to the corresponding results of americium atoms, which indicates that the outermost electrons can hardly affect inner-shell transition properties.     

Energy and fine structure of 1s2np(n≤9) states for lithium-like systems from Z=11 to 20

A new variation method is extended to study the atomic systems with higher nuclear charges and in more highly excited states. The non-relativistic energies of 1s^2np (n≤9) states for the lithium-like systems from Z=11 to 20 are calculated using a full-core-plus-correlation method with multi-configuration interaction wavefunctions. Relativistic and mass-polarization effects on the energy are calculated as the first-order perturbation corrections. The fine structures are determined from the expectation values of spin-orbit and spin-other-orbit interaction operators in the Pauli－Breit approximation. The quantum-electrodynamics correction is also included. Our results are compared with experimental data in the literature.     

高离化类铍离子2s2 1S0-2s2p 1P1(Z=10～103)光谱跃迁

利用全相对论性多组态Dirac-Fock平均能级(MCDF-AL)方法系统地计算了高离化类铍离子2s2　1S0-2s2p1P1(Z=10～103)跃迁的能级间隔和跃迁几率,计算中考虑了重要的核的有限体积效应,Breit修正和QED修正,所得结果和最近的实验数据及理论计算值进行了比较,结果表明：高原子序数的高荷电离子的跃迁几率明显超过了中性原子的电偶极E1的跃迁几率,在ICF和MCF高温激光等离子体中,电偶极E1跃迁几率过程相当强烈。     

A new perturbation theory for transport coefficients

The Green's function method for the calculation of orbital energies developed in the preceding paper is applied to the benzene molecule. It is confirmed that the lowest-order approximation for irreducible diagrams in our theory is equivalent to the usual self-consistent field theory. Higherorder corrections to orbital energies are calculated and theoretical and experimental results are compared.     

Two-muonic atoms

X-ray transition energies for two-muonic atoms are calculated. The basis are relativistic self-consistent-field calculations including the corrections normally known in muonic atoms plus the vacuum polarization, magnetic interaction and retardation in the μ-μ-interaction, the specific mass correction and the configuration interaction.     

轻元素定量分析的新修正方法

本文介绍了一种能用于轻元素定量分析的新修正方法,它的各项修正因子用Monte Carlo计算方法确定。分析了碳和氧两种元素,计算得到的浓度结果比其它方法好。并对ZAF方法中的简化Philibert吸收修正公式和Dancumb-Reed原子序数修正公式进行了详细讨论,指出了它们的局限性。 关键词：     

The Effects of Vacuum Fluctuations on ρ Meson Masses in Hot and Dense Matter

Based on the thermo field dynamics, the temperature- and density-dependent effective mass and screening mass of ρ meson in the vector-tensor ρ-meson-nucleon-nucleon coupling model have been calculated. The effects of the vacuum fluctuation corrections through the effective nudeon mass are examined. We have shown that the vacuum fluctuation gives an important correction to the self-energy of ρ meson and leads to a reduction of ρ-meson mass in hot and dense matter.     

类铍离子磁四极M2 2s2 1S0—2s2p3P2 (Z=10—103)禁戒跃迁

利用全相对论多组态Dirac-Fock方法系统地计算了高离化类铍离子的磁四极M2 2s²¹S₀—2s2p³P₂ (Z=10—103)自旋禁戒跃迁的能级间隔、跃迁概率和振子强度，计算中考虑了重要核的有限体积效应，Breit修正和QED修正，所得结果和最近的实验数据以及理论值进行了比较，结果表明：高原子序数的高电荷离子(Z≥70)磁四极M2自旋禁戒跃迁几乎可以和中性原子的光学允许跃迁相比拟，不仅在天体等离子体中，在ICF和MCF高温激光等离子体中，磁四极自旋禁戒跃迁和其他自旋禁戒跃迁（磁偶极、电四极）一样不容忽视，在双电子复合、不透明度、自由程等理论计算中应该考虑其影响. 关键词： 磁四极M2 能级间隔 跃迁概率 振子强度     

CALCULATION OF THE TRANSITION ENERGIES OF THE Ne-LIKE IONS WITH THE CORRECTION OF CORE POLARIZATION

The transition energies between n=3 and n=2 of the Ne-like ion Ge²²⁺, Se²⁴⁺, Zr³⁰⁺, Rh³⁵⁺, Ag³⁷⁺, Sb⁴¹⁺, Xe⁴⁴⁺, La⁴⁷⁺, Nd⁵⁰⁺ and Eu⁵³⁺ are calculated by adding polarization in the core. The systematic errors in multi-configuration Dirac-Fock calculation are greatly reduced and a good agreement is obtained between the theory and the experiment. This study shows that introducing the polarization of core orbitals is a good method to calculate the atomic structure, and there is a close relation between polarizability and nucleus charge.     

Relativistic correlation correction to the binding energies of the ground configuration of beryllium-like, neon-like, magnesium-like and argon-like ions

Total electronic correlation corrections to the binding energies of the isoelectronic series of beryllium, neon, magnesium and argon, are calculated in the framework of relativistic multiconfiguration Dirac-Fock method. Convergence of the correlation energies is studied as the active set of orbitals is increased. The Breit interaction is treated fully self-consistently. The final results can be used in the accurately determination of atomic masses from highly charged ions data obtained in Penning-trap experiments.     

Radiative lifetime and oscillator strength determinations in potassium ions (K V, K VI and K VII)

Oscillator strengths have been calculated for the transitions depopulating levels of the 3s²3p³, 3s3p⁴ configurations of K V, of the 3s²3p², 3s3p³ configurations of K VI and of the 3s²3p, 3s3p², 3p³ and 3s3p3d configurations of K VII. A multiconfiguration Dirac-Fock method, incorporating the relativistic two-body Breit interaction and quantum electrodynamics corrections due to self-energy and vacuum polarization, has been used for the calculations. The reliability of this approach has been tested by comparison with relativistic Hartree-Fock calculations and also with some experimental measurements performed by beam-foil spectroscopy at a beam energy of 1.7 MeV.     

Systematic multi-configuration Dirac-Fock calculations of the Kα and Kβ X-ray spectra of silicon ions

The transition energies, absorption oscillator strengths, line strengths and transition probabilities between computed levels are reported for the He-like to Ne-like Silicon ion sequences. Wavefunctions were determined relativistic configuration interaction (RCI) and multi-configuration Dirac-Fock (MCDF) technique included the Breit interaction, quantum electrodynamic (QED) corrections and nuclear mass corrections. The calculated values are in good agreement with the available experimental data and the recent theoretical values obtained from other methods. These data provide reference values for the level lifetimes, charge state distributions, and average charge of silicon plasmas.     

碱土金属ns(n-1)d1D-ns21S电四极跃迁的能级和振子强度

利用全相对论性多组态Dirac-Fock方法系统地计算了碱土金属激发态1D-1S电四极光谱跃迁的能级间隔,跃迁几率和振子强度,计算中考虑了重要的核的有限体积效应,Breit修正和QED修正,所得结果和最近的实验数据及理论计算值进行了比较,并探讨了采用电四极矩作为中间共振,获得碱土金属元素的高里德伯态,特别是自电离态的可能性.     

In-plane anisotropy of the electronic structure for the charge- and orbital-ordered state in half-doped manganite with layered structure

We report on the in-plane anisotropy of the electronic response in the spin-, charge-, and orbital-ordered phase of a half-doped layered-structure manganite. The optical conductivity spectra for a single domain of Eu1/2Ca3/2MnO4 unambiguously show the anisotropic charge dynamics which well corresponds to the theoretical calculation: the optical conductivity with the polarization along the zigzag ferromagnetic chain direction exhibits a smaller gap and a larger intensity at lower energies than that of the perpendicular polarization mostly due to the charge and orbital ordering and the associated quantum interference effect.