Electronic structure and bonding in the
โ
P. Scharf; S. Brode; R. Ahlrichs
๐
Article
๐
1985
๐
Elsevier Science
๐
English
โ 304 KB
Extended basis set calculations have been performed for the ground state of 0.12 using CI(SD) and the coupled pair functional (CPF) method, a size-consistent moditication of CI(SD). Special emphasis is ,&en to the discussion of (lj Scis saturation effects (up to g functions were included). a) effect