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Core Effects on Transition Energies for 3d k Con?gurations in Tungsten Ions

机译:钨离子中3d k构型对跃迁能的核心影响

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Allenergylevelsofthe3dk,k=1,2,...,8,9,con?gurationsfortungstenions,computedusing the GRASP2K fully relativistic code based on the variational multicon?guration Dirac–Hartree–Fock method, are reported. Included in the calculations are valence correlation where all 3s,3p,3d orbitals are considered to be valence orbitals, as well as core–valence and core–core effects from the 2s,2p subshells. Results are compared with other recent theory and with levels obtained from the wavelengths of lines observed in the experimental spectra. It is shown that the core correlation effects considerably reduce the disagreement with levels linked directly to observed wavelengths, but may differ signi?cantly from the NIST levels, where an unknown shift of the levels could not be determined from experimental wavelengths. For low values of k, levels were in good agreement with relativistic many-body perturbation levels, but for 2 < k < 8, the present results were in better agreement with observation.
机译:报告了使用变分多配置Dirac–Hartree–Fock方法使用GRASP2K完全相对论代码计算的Allenergylevelsofthe3dk,k = 1,2,...,8,9,配置说明控件。计算中包括价相关,其中所有3s,3p,3d轨道均被视为价轨道,以及2s,2p子壳的核心-价和核心-核心效应。将结果与其他最新理论进行比较,并与从实验光谱中观察到的谱线波长获得的水平进行比较。结果表明,核心相关效应大大减少了与直接与观察到的波长相关的能级之间的分歧,但是可能与NIST显着不同,后者无法根据实验波长确定能级的未知变化。对于低k值,其水平与相对论多体摄动水平高度吻合,但是对于2

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