Bond Length differences between CCSD(T)=FULL (all electrons correlated) and CCSD(T) (frozen core)
For Al2- atoms 1 and 2
For Al
2
-
(aluminum dimer anion)
Bond length differences (full - frozen) in Å
Methods
with standard
basis sets
6-31G*
Coupled Cluster
CCSD(T)=FULL
-0.0080