III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -151.7888514 |
correlated core | -151.7899168 |
difference | -0.0010654 |
Energy (hartrees) | |
---|---|
frozen core | -151.7888514 |
correlated core | -151.7899168 |
difference | -0.0010654 |
Energy (hartrees) | |
---|---|
frozen core | -151.7888514 |
correlated core | -151.7899158 |
difference | -0.0010644 |
Energy (hartrees) | |
---|---|
frozen core | -151.7888514 |
correlated core | -151.7899158 |
difference | -0.0010644 |