Model pseudopotential open-shell LCAO-MO-SCF calculations on alkali metal trimers
- 1 April 1975
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 29 (4), 1109-1116
- https://doi.org/10.1080/00268977500100941
Abstract
The Roothaan open-shell LCAO-MO-SCF method was coupled with the Simons model potential in calculations of internuclear distances and ionization potentials for Li3, Na3, K3, Rb3, and Cs3 taking core polarization into account.Keywords
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