title: Relativistic small-core energy-consistent pseudopotentials for the alkaline-earth elements from Ca to Ra.
abstract: 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.
authors.affiliation: Quantum and Computational Chemistry Laboratory, Department of Chemistry, Korea Advanced Institute of Science and Technology, 373-1 Guseong-dong, Yuseong-gu, Daejoen 305-701, Republic of Korea.
authors.forename: Ivan S
authors.initials: IS
authors.lastname: Lim
authors.forename: Hermann
authors.initials: H
authors.lastname: Stoll
authors.forename: Peter
authors.initials: P
authors.lastname: Schwerdtfeger