III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -95.1688403 |
correlated core | -95.1698516 |
difference | -0.0010113 |
Energy (hartrees) | |
---|---|
frozen core | -95.1688402 |
correlated core | -95.1698516 |
difference | -0.0010114 |
Energy (hartrees) | |
---|---|
frozen core | -95.1688403 |
correlated core | -95.1698516 |
difference | -0.0010113 |
Energy (hartrees) | |
---|---|
frozen core | -95.1688402 |
correlated core | -95.1698516 |
difference | -0.0010113 |