Small-core ten-valence electron energy-consistent scalar- and two-component relativistic pseudopotentials for the alkaline-earth elements from Ca to Ra are presented. The accuracy and reliability of these pseudopotentials are discussed in terms of their ability to reproduce all-electron calculated and experimental dipole polarizabilities and ionization potentials.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1063/1.2148945 | DOI Listing |
Publication Analysis
Top Keywords
pseudopotentials alkaline-earth
8
alkaline-earth elements
8
relativistic small-core
4
small-core energy-consistent
4
energy-consistent pseudopotentials
4
elements small-core
4
small-core ten-valence
4
ten-valence electron
4
electron energy-consistent
4
energy-consistent scalar-
4
Similar Publications
Want AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!