Abstract
In this work, total atomic scattering factors for the ground states of the lithium isoelectronic sequence are calculated by using the full core plus correlation wave function. For the ground state of the lithium atom, our results are compared with the previous theoretical values in the literature; the influence of electron correlation on total atomic scattering factors is analyzed systematically and our results agree with previous configuration interaction calculations very well. For the ground states of the lithium isoelectronic sequence from Na 8+ to Ca 17+, the general functional behavior of total atomic scattering factors is analyzed together for each state of the isoelectronic sequence.
Original language | English |
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Article number | 024305 |
Journal | Journal of Chemical Physics |
Volume | 122 |
Issue number | 2 |
DOIs | |
Publication status | Published - 2005 |
Externally published | Yes |