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中国物理学会期刊

钠原子主线系精细结构的多体微扰计算

CSTR: 32037.14.aps.61.153104

MBPT calculation for the fine-structure intervals of principal series np(n=39) for Na

CSTR: 32037.14.aps.61.153104
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  • 在相对论的框架下采用多体微扰理论(MBPT)方法计算了纳原子 np(n=39)态的能级精细结构分裂值. 为避免多体微扰计算中需要计算大量连续态的困扰, 通过引入外势的方法可以构建离散、有限和近似完备的数值基函数. 经求解相对论Hartree-Fock (RHF)方程及外势作用下的RHF方程可获得零级近似波函数和能级值. 为了使微扰展开能够收敛, 计算中用到了轨道角量子数l 6的在一定能量分布范围内的中间态, 其中以在外势作用下的收缩态为主. 依此方法计算了纳原子主线系系列能级二阶微扰修正值, 同时还考虑了Breit效应的一级微扰修正对精细结构的影响. 通过与其他理论计算结果比较可看出, 本文计算结果在较大程度上更接近于实验值.

     

    The fine-structure intervals of Na principal series np(n=39) are calculated by the many-body perturbation theory (MBPT) within the framework of relativity. To deal with the problem that a large set of continuum states is required in the MBPT calculation, an exponential potential is employed to generate a discrete, finite and nearly complete set of numerical basis functions. The zeroth-order wavefunctions and eignvalues are obtained by solving the relativistic Hartree-Fock (RHF) equation and the RHF equation with the action of a potential barrier. The basis set used in this work contains intermediate orbitals with the angular momentum l 6 and in an appropriate energy range, and most of them are the so called contracted orbitals. Encouraging results are obtained using this technique to calculate the second-order correlation corrections, combining the Breit effects in a first-order perturbation approach. Compared with other theoretical calculations, the present results are much close to the experimental results.

     

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