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Ab initio calculations of atomic parameters of Mo XVIII of fusion interest
Atomic Data and Nuclear Data Tables ( IF 2.7 ) Pub Date : 2020-01-18 , DOI: 10.1016/j.adt.2019.101321
Z.B. Chen

The relativistic multiconfiguration Dirac–Hartree–Fock (MCDHF) method has been employed to calculate the atomic parameters of Mo XVIII, which are important for fusion determination of plasma properties in different conditions. Atomic data, such as energy levels, lifetimes, wavelengths, spectroscopic labels, and transition rates for the transitions among the lowest 112 states of the 3 s23p63d7, 3 s23p53d8, 3s3 p63d8, and 3s23p63d64s configurations are given. To describe the atomic system accurately, electron correlation effects are taken into account. We also present a calculation within fully relativistic frame based on the Flexible Atomic Code (FAC). This, in turn, allowed us to make an intercomparison on the obtained data. Our two sets of results are also evaluated by comparison with the NIST database recommended values. The new calculated energy levels are, on the average, about 1.5% higher than NIST database recommended values and yield oscillator strengths within 5% of the theoretical values. This study provides a substantial amount of updated atomic data, which are essential for fusion applications.



中文翻译:

感兴趣的Mo XVIII原子参数的从头算

相对论多配置狄拉克-哈特里-福克(MCDHF)方法已用于计算Mo XVIII的原子参数,这对于在不同条件下融合测定等离子体性质非常重要。原子数据,例如能级,寿命,波长,光谱标记和3种状态中最低的112种状态之间的跃迁的跃迁速率s23p63d7,3 s23p53d8,3秒3 p63d8和3s23p63d64s给出了配置。为了准确描述原子系统,需要考虑电子相关效应。我们还基于弹性原子码(FAC)在完全相对论的框架内提出了一种计算方法。反过来,这使我们可以对获得的数据进行比较。我们还通过与NIST数据库推荐值进行比较来评估我们的两组结果。平均而言,新计算出的能级比NIST数据库推荐值高出约1.5%,并且振荡器强度在理论值的5%之内。这项研究提供了大量更新的原子数据,这对于聚变应用至关重要。

更新日期:2020-01-18
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