Pseudopotentials for main group elements (IIIa through VIIa)
- 20 December 1988
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 65 (6) , 1321-1328
- https://doi.org/10.1080/00268978800101811
Abstract
Semiempirical pseudopotentials including core-polarization potentials have been generated for main group elements IIIa through VIIa, with main quantum numbers n ⩽ 5. Test calculations with these pseudopotentials have been performed for atomic ionization energies.Keywords
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