Theoretical study of static dipole polarizabilities and hyperpolarizability of B2+and B+ ions

The wave functions, energy levels, and oscillator strengths of B2+ ions and B+ ions are calculated by using a relativistic potential model, which is named the relativistic configuration interaction plus core polarization (RCICP) method.The presently calculated energy levels are in very good agreement with experimental energy levels tabulated in NIST Atomic Spectra Database, with difference no more than 0.05%.The presently calculated oscillator strengths agree very well with NIST and some available theoretical results. The difference is no more than 0.6%. By using these energy levels and oscillator strengths, the electric-dipole static polarizability of the 2s1/2, 2p1/2, 2p3/2, and 3s1/2 state and static hyperpolarizability of the ground state 2s1/2 for B2+ ion, as well as electric-dipole static polarizability of the 2s2 1S0 state and 2s2p 3P0 state for B+ ion are determined, respectively. The polarizability of the 2p1/2 state and 2p3/2 state of B2+ ion are negative. The main reason is that the absorption energy of the 2p1/2,3/2 & RARR; 2s1/2 resonance transition is negative. The contribution to the polarizability of the 2p1/2 state and 2p3/2 state are both negative. For the tensor polarizability of the 2p3/2 state, the main contribution from the 2p3/2 & RARR; 2s1/2 transition and 2p3/2 & RARR; 3d5/2 transition are 2.4963 a.u. and -0.2537 a.u., respectively, and the present RCICP result is 2.1683 a.u. The largest contribution to the hyperpolarizability of the ground state 2s1/2 originates from the term of . The electric-dipole static 1 �0 polarizability of the 2s2 1S0 state and 2s2p 3P0 state of B+ ion are 9.6220 a.u. and 7.7594 a.u., respectively. The presently calculated blackbody radiation (BBR) shift of the 2s2p 3P0 & RARR; 2s2 1S0 clock transition is 0.01605 Hz. This BBR shift is one or two orders of magnitude smaller than that for alkaline-earth-metal atom.

Automated summary

The wave functions, energy levels, and oscillator strengths of B2+ ions and B+ ions were calculated using the relativistic potential model, RCICP. The calculated energy levels were in good agreement with experimental data, with a difference of no more than 0.05%. The calculated oscillator strengths also agreed well with experimental and theoretical results, with a difference of no more than 0.6%.