B-spline calculations of oscillator strengths in neutral argon
B-spline calculations of oscillator strengths in neutral argon
复制标题
中性氩中振荡器强度的 B 样条计算
DOI：
10.1088/0953-4075/39/9/004
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发表时间：
2006
期刊：
影响因子：
--
通讯作者：
K. Bartschat
中科院分区：
文献类型：
--
作者：
O. Zatsarinny;K. Bartschat
报道了基于B样条盒的Ar~i跃迁几率的多通道计算，能级最高可达n=12。用一组单独优化的、依赖于项的非正交价轨道来解释单电子轨道中强的项依赖关系。在Breit-Pauli近似下，计算了3p6基态组态跃迁和激发态间跃迁的能级和振子强度。利用跃迁数据的长度和速度规的一致性以及结合能的准确性来估计我们的结果的准确性，并与实验和其他理论数据进行了比较。结果表明，对于n值较高而标准多组态Hartree-Fock方法难以应用的中高能级振子强度，本方法可用于精确计算。
B-spline box-based multi-channel calculations of transition probabilities in Ar I are reported for energy levels up to n = 12. An individually optimized, term-dependent set of non-orthogonal valence orbitals is used to account for the strong term dependence in the one-electron orbitals. Energy levels and oscillator strengths for transitions from the 3p6 ground-state configuration as well as for transitions between excited states have been computed in the Breit–Pauli approximation. The agreement in the length and velocity gauges of the transition data and the accuracy of the binding energies are used to estimate the accuracy of our results, which are also compared with experimental and other theoretical data. It is shown that the present method can be used for accurate calculations of oscillator strengths for states with intermediate and high n-values, for which it is difficult to apply standard multi-configuration Hartree–Fock methods.