III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -40.2190157 |
correlated core | -40.2194922 |
difference | -0.0004764 |
Energy (hartrees) | |
---|---|
frozen core | -40.2190157 |
correlated core | -40.2194876 |
difference | -0.0004719 |
Energy (hartrees) | |
---|---|
frozen core | -40.2190110 |
correlated core | -40.2194922 |
difference | -0.0004812 |
Energy (hartrees) | |
---|---|
frozen core | -40.2190110 |
correlated core | -40.2194876 |
difference | -0.0004767 |