Finite-field calculation of the polarizabilities and hyperpolarizabilities of Al +
Finite-field calculation of the polarizabilities and hyperpolarizabilities of Al +
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DOI：
10.1103/physreva.88.052518
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发表时间：
2013-10
影响因子：
2.9
通讯作者：
Yan-mei Yu;B. Suo;H. Fan
中科院分区：
文献类型：
--
作者：
Yan-mei Yu;B. Suo;H. Fan
本文计算了Al+基态3s(21)S(0)和激发态3s3p P-3(J)(J=0，1，2)的精确静态偶极极化率和超极化率。有限场计算采用相对论组态相互作用方法和相对论耦合团簇方法得到的能量。Al+基态3s(2)S-1(0)和激发态3s3p P-3(0)的偶极极化率以及基态3s2 S-1(0)的超极化率与以前的推荐值有很好的一致性。给出了Al+3s3p3P1和3P2的偶极极化率和Al+3s3pP-3(0)、P-3(1)和P-3(2)的超极化率的推荐值。通过分析偶极极化率和超极化率与角动量的关系，以及比较全相对论和标量相对论计算数据，阐明了相对论和自旋-轨道耦合的影响。结果表明，相对论和自旋-轨道耦合对偶极极化率的影响较小，但对超极化率的影响较大。最后，对于J=0，1，2的Al+3S(2)S-1(0)到3s3p P-3(J)的跃迁，分别计算了偶极极化率和超极化率对黑体辐射的贡献。
In this study, accurate static dipole polarizability and hyperpolarizability are calculated for Al+ ground state 3s(21)S(0) and excited state 3s3p P-3(J) with J = 0,1,2. The finite-field computations use energies obtained with the relativistic configuration interaction approach and the relativistic coupled-cluster approach. Excellent agreement with previously recommended values is found for the dipole polarizability of Al+ ground state 3s(2) S-1(0) and excited state 3s3p P-3(0) as well as the hyperpolarizability of the ground state 3s2 S-1(0). The recommended values of the dipole polarizability of the Al+ 3s3p 3P1 and 3P2 and the hyperpolarizability of Al+ 3s3p P-3(0), P-3(1), and P-3(2) are also given. The impacts of the relativity and spin-orbit coupling are elucidated by analyzing the angular momentum dependence of the dipole polarizability and the hyperpolarizability, and comparing the fully and scalar relativistic calculated data. It is shown that the impact of the relativity and spin-orbit coupling are small for the dipole polarizability but become significant for the hyperpolarizability. Finally, the blackbody radiation shifts contributed by the dipole polarizability and hyperpolarizability, respectively, are evaluated for transitions of Al+ 3s(2) S-1(0) to 3s3p P-3(J) with J = 0,1,2.