钠原子主线系精细结构的多体微扰计算
MBPT calculation for the fine-structure intervals of principal series np(n=3-9) for Na
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摘要: 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=3—9)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i≤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.
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关键词:
- 主线系 /
- 精细结构 /
- 多体微扰理论(MBPT) /
- Breit效应
Abstract: The fine-structure intervals of Na principal series np(n = 3—9) 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 zerothorder 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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