Hartree-Fock, correlation and term energies of valence excited states of atoms and ions of the second row of the periodic table
- 1 April 1970
- journal article
- Published by IOP Publishing in Journal of Physics B: Atomic and Molecular Physics
- Vol. 3 (4), 478-492
- https://doi.org/10.1088/0022-3700/3/4/004
Abstract
Hartree-Fock energies have been calculated for 333 valence states of atoms and ions of the second row of the periodic table corresponding to 1s22sm2pn (m=0.1; 022s22pn)+b(1s22pn+2)). Relativistic contributions for the excited configurations were obtained approximately from computations of the relativistic energy of the 1s22p6 1S0 and mately from computations of the relativistic energy of the 1s22p6 1S0 and 1s22s22p6 1S0 states. All the above calculations extend from the neutral atom up to Z=15 for the three-, four-, five- and six-electron series and up to Z=17 for the seven-, eight-, nine- and ten-electron series.Keywords
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