III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For (hydrogen boron sulfide)Energy (hartrees) | |
---|---|
frozen core | -241.8927249 |
correlated core | -241.9013001 |
difference | -0.0085752 |
Energy (hartrees) | |
---|---|
frozen core | -241.8927249 |
correlated core | -241.9013001 |
difference | -0.0085752 |
Energy (hartrees) | |
---|---|
frozen core | -241.8927249 |
correlated core | -241.9013001 |
difference | -0.0085752 |
Energy (hartrees) | |
---|---|
frozen core | -241.8927249 |
correlated core | -241.9013001 |
difference | -0.0085752 |