A density functional study of ground-sta
โ
Karen G. Doclo; Claude A. Daul; Steven Creve
๐
Article
๐
1997
๐
John Wiley and Sons
๐
English
โ 206 KB
๐ 2 views
## ลฝ . Density functional DF theory using both local and gradient-corrected functionals is ลฝ . used to optimize the ground-state geometry of CoAl Cl g . The method to obtain the 2 8 multiplet structure includes first-and second-order electrostatic interactions. From these results and the calculati