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New definitions of the effective nuclear charge and its application to estimate the matrix element ⟨n,l|rβ|n,l

  • Shanghai Institute of Optics and Fine Mechanics Chinese Academy of Sciences
  • Hunan University of Technology

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Résumé

New definitions of the effective nuclear charge are proposed to evaluate the orbital wave function and the dipole matrix element ⟨n,l|r|n,l⟩ for the non-hydrogenic atoms or ions. It is found that the commonly used effective nuclear charge defined by the orbital energy is insufficiently precise to estimate the orbital wave functions and matrix elements ⟨n,l|r|n,l⟩. Instead, the effective nuclear charge defined by ⟨r⟩ or ⟨r2⟩ are more advantageous. It is shown that the effective nuclear charge method becomes increasingly precise to predict wave functions and matrix elements as the orbital angular momentum, the principle quantum number and the degree of ionization increase. Good accuracy is achieved when principal quantum numbers are identical n=n or when both orbital quantum numbers l and l are non-zero. When s-orbitals are involved (l or l equal to zero) the precision is decreasing.

langue originaleAnglais
Numéro d'article100241
journalPhysics Open
Volume21
Les DOIs
étatPublié - 1 déc. 2024

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