Accurate theoretical prediction of the experimental ground-state total atomic energies
- 1 August 1988
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 38 (3) , 1593-1594
- https://doi.org/10.1103/physreva.38.1593
Abstract
Thirty-five configurations, built up from 15 orbitals obtained in multiconfigurational Hartree-Fock calculations, have been used in configuration-interaction calculations (involving 53 states with J=0) for the two-electron systems He i, Lii i, and Bei i i. The Hamiltonian operator consisted of the electronic, SL-nonsplitting, and fine-structure terms, and the results have been corrected by consideration of the appropriate nuclear mass effects. The accuracy of the resulting total energies is 99.986%, 99.994%, and 99.998%, respectively.Keywords
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