III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -2074.3426976 |
correlated core | -2074.3707280 |
difference | -0.0280304 |
Energy (hartrees) | |
---|---|
frozen core | -2074.3426976 |
correlated core | -2074.3707061 |
difference | -0.0280085 |
Energy (hartrees) | |
---|---|
frozen core | -2074.3426758 |
correlated core | -2074.3707280 |
difference | -0.0280522 |
Energy (hartrees) | |
---|---|
frozen core | -2074.3426758 |
correlated core | -2074.3707061 |
difference | -0.0280304 |