Bond Length differences between CCSD(T)=FULL (all electrons correlated) and CCSD(T) (frozen core)
For KBr atoms 1 and 2
For KBr (Potassium Bromide)
Bond length differences (full - frozen) in Å
Methods
with standard
basis sets
6-31G*
Coupled Cluster
CCSD(T)=FULL
-0.0030
