III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -291.3683681 |
correlated core | -291.4012095 |
difference | -0.0328415 |
Energy (hartrees) | |
---|---|
frozen core | -291.3683681 |
correlated core | -291.4012095 |
difference | -0.0328415 |
Energy (hartrees) | |
---|---|
frozen core | -291.3683680 |
correlated core | -291.4012095 |
difference | -0.0328415 |
Energy (hartrees) | |
---|---|
frozen core | -291.3683681 |
correlated core | -291.4012095 |
difference | -0.0328415 |
Energy (hartrees) | |
---|---|
frozen core | -291.3683681 |
correlated core | -291.4012095 |
difference | -0.0328415 |
Energy (hartrees) | |
---|---|
frozen core | -291.3683680 |
correlated core | -291.4012095 |
difference | -0.0328415 |