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Finite-nuclear-mass calculations of the leading relativistic corrections for atomic D states with all-electron explicitly correlated Gaussian functions

An algorithm for calculating the leading relativistic corrections for D states of atoms with an arbitrary number of electrons with all-electron explicitly correlated Gaussian functions is derived and tested in… Click to show full abstract

An algorithm for calculating the leading relativistic corrections for D states of atoms with an arbitrary number of electrons with all-electron explicitly correlated Gaussian functions is derived and tested in calculations for the helium and beryllium atoms. The finite-nuclear-mass approach used enables us to determine the isotopic shifts of the corrections. The results for interstate transitions for D states of the helium atom are compared with previous calculations. The results for the beryllium atom are compared with the experimental values, as these are high-accuracy calculations of D states of a four-electron atom performed with the inclusion of the leading relativistic corrections. The calculated and experimental values agree with each other within the experimental error bar.

Keywords: gaussian functions; electron explicitly; correlated gaussian; relativistic corrections; leading relativistic; explicitly correlated

Journal Title: Physical Review A
Year Published: 2019

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