Anisotropy of the static dipole polarizability induced by the spin–orbit interaction: the S-state atoms N–Bi, Cr, Mo and Re
Anisotropy of the static dipole polarizability induced by the spin–orbit interaction: the S-state atoms N–Bi, Cr, Mo and Re
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自旋轨道相互作用引起的静态偶极子极化率的各向异性：S态原子N-Bi、Cr、Mo和Re
DOI：
10.1098/rspa.2010.0440
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发表时间：
2011
期刊：
影响因子：
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通讯作者：
A. Buchachenko
中科院分区：
文献类型：
--
作者：
A. Buchachenko
用从头算方法系统地研究了2S+1S，S和GT；1/2，N到Bi，Cr，Mo，Mn，Tc和Re原子的基态静态偶极化率。用耦合团簇方法得到了标量极化率分量的标量相对论基准值。对由二阶自旋-轨道相互作用产生的各向异性(张量)极化率分量(除Mn和TC外)进行了自旋-轨道组态相互作用计算。首次计算了张量极化率，发现张量极化率约为核电荷的4次方，从10−5(N)增加到3.8个原子单位(Bi)。讨论了冷原子磁囚禁的简单关联及其意义。
A systematic ab initio study is performed on the ground state static dipole polarizabilities of the 2S+1S, S>1/2, atoms from N to Bi, Cr, Mo, Mn, Tc and Re. The benchmark scalar-relativistic values of the scalar polarizability components are obtained using the coupled cluster method. The spin–orbit configuration interaction calculations are carried out for the anisotropic (tensor) polarizability components of these atoms (except Mn and Tc) that arise from the second-order spin–orbit interaction. The tensor polarizabilities are calculated for the first time and found to increase from 10−5 (N) to 3.8 atomic units (Bi) approximately as the fourth power of the nuclear charge. The simple correlations and implication to magnetic trapping of cold atoms are discussed.