Relativistic correlating basis sets for 57La and 89Ac.
Developed and reported are compact yet efficient correlating basis sets for the (57)La and (89)Ac atoms, missing in the literature. Good performance of these correlating sets is exemplified in molecular applications to diatomic oxides and fluorides.
Sekiya
Masahiro
M
Department of Intercultural Studies, Tomakomai Komazawa University, Tomakomai, Hokkaido 059-1292, Japan. mas.sekiya@gmail.com
Noro
Takeshi
T
Koga
Toshikatsu
T
Saito
Shiro L
SL