Spin density and density moments for the lithium ground state
- 1 April 1991
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 43 (7) , 3373-3383
- https://doi.org/10.1103/physreva.43.3373
Abstract
Accurate analytical charge and spin-electron densities for the lithium atom are obtained by using a systematic and reliable method recently developed and applied to closed-shell atoms. The convergence of the densities is analyzed in terms of well-defined improvements in the corresponding configuration-interaction wave functions, and mathematical criteria are used to test the stability of the densities and their derivatives. Fully converged results for one-electron properties and, in particular, for the Fermi-contact interaction are reported.Keywords
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