碱土金属
原子物理学
电离
偶极子
电离能
价(化学)
价电子
相对论量子化学
电子
化学
标量(数学)
物理
离子
碱金属
量子力学
几何学
数学
作者
Ivan S. Lim,Hermann Stoll,Peter Schwerdtfeger
摘要
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.
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