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首页> 外文期刊>International Journal of Quantum Chemistry >Electric and magnetic dipole shielding constants for the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
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Electric and magnetic dipole shielding constants for the ground state of the relativistic hydrogen-like atom: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function

机译:相对论似氢原子的基态的电和磁偶极子屏蔽常数:广义Dirac-Coulomb Green函数的Sturmian展开的应用

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摘要

The Sturmian expansion of the generalized Dirac–Coulomb Green function (Szmytkowski, J Phys B, 1997, 30, 825; erratum 1997, 30, 2747) is exploited to derive closed-form expressions for electric (σE) and magnetic (σM) dipole shielding constants for the ground state of the relativistic hydrogen-like atom with a point-like and spinless nucleus of charge Ze. It is found that σE = Z?1 (as it should be) and σM = ?(2Zα~2/27)-4γ ~31 + 6γ ~21 ? 7γ1 ? 12-/[γ1(γ1 + 1)(2γ1 ? 1)], where γ1 = 1 ? (Zα)~2 (α is the fine-structure constant). This expression for σM agrees with earlier findings of several other authors, obtained with the use of other analytical techniques, and is elementary compared to an alternative one presented recently by Cheng et al. (J Chem Phys 2009, 130, 144102), which involves an infinite series of ratios of the Euler’s gamma functions.
机译:利用广义Dirac-Coulomb Green函数的Sturmian展开(Szmytkowski,J Phys B,1997,30,825; erratum 1997,30,2747)来导出电(σE)和磁(σM)偶极子的闭式表达式相对论的类氢原子的基态的屏蔽常数,具有点状和无纺的电荷核。发现σE=Zα1(理应如此)并且σM=α(2Zα〜2/27)-4γ〜31 +6γ〜21? 7γ1? 12-/ [γ1(γ1+1)(2γ1?1)],其中γ1= 1? (Zα)〜2(α是精细结构常数)。 σM的这种表达与其他几位作者的早期发现是一致的,后者是通过使用其他分析技术获得的,并且与Cheng等人最近提出的另一种表达相比是基本的。 (J Chem Phys 2009,130,144102),其中涉及无限个欧拉伽玛函数比率系列。

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