✦ LIBER ✦
Valence energies and polarisabilities for heavy atoms and ions by means of semi-empirical pseudopotentials
✍ Scribed by J. Silberbach
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 355 KB
- Volume
- 133
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Pseudopotential calculations are presented for the atoms Ba, Au, Hg, Tl, and Pb. Calculations of the valence energies of the two-valence-electron ions and of the neutral atoms are reported. Two different kinds of semi-empirical pseudopotentials are discussed. Atomic polarisabilities are also calculated, and they compare well with values obtained by other authors, both experimental and theoretical.