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Alkali and alkali-earth elements

For most alkali and alkali-earth elements the semi-core $s$ and $p$ states should be treated as valence states. For lighter elements (Na-Ca) it is usually sufficient to treat the the $2p$ and $3p$ states, respectively, as valence states ( _pv), whereas for Rb-Sr the $4s,4p$ and $5s,5p$ states, respectively, must be treated as valence states ( _sv). Hence the standard potentials are


Na_pv            Mg or Mg_pv
K_pv  or K_sv    Ca_pv or Ca_sv
Rb_sv            Sr_sv
Cs_sv            Ba_sv
For K results should not be sensible to whether K_pv or K_sv is used. Likewise, for Mg the standard potential will be sufficient in most cases.



Georg Kresse
2007-03-01