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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
Authors:Patrycja Stefańska  Radosław Szmytkowski
Institution:Atomic Physics Division, Department of Atomic Physics and Luminescence,Faculty of Applied Physics and Mathematics, Gdańsk University of Technology,Narutowicza 11/12, 80‐233 Gdańsk, Poland
Abstract: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 $(\sigma_{E})$equation image and magnetic $(\sigma_{M})$equation image 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 $\sigma_{E}=Z^{-1}$equation image (as it should be) and equation image where $\gamma_{1}=\sqrt{1-(Z\alpha)^{2}}$equation image (α is the fine‐structure constant). This expression for $\sigma_{M}$equation image 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. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012
Keywords:electric nuclear shielding  magnetic nuclear shielding  Dirac one‐electron atom  Dirac‐Coulomb Green function  Sturmian functions
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