III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -89.7753892 |
correlated core | -89.7794619 |
difference | -0.0040727 |
Energy (hartrees) | |
---|---|
frozen core | -89.7753892 |
correlated core | -89.7794619 |
difference | -0.0040727 |
Energy (hartrees) | |
---|---|
frozen core | -89.7753892 |
correlated core | -89.7794619 |
difference | -0.0040727 |
Energy (hartrees) | |
---|---|
frozen core | -89.7753892 |
correlated core | -89.7794620 |
difference | -0.0040727 |
Energy (hartrees) | |
---|---|
frozen core | -89.7753892 |
correlated core | -89.7794620 |
difference | -0.0040727 |
Energy (hartrees) | |
---|---|
frozen core | -89.7753892 |
correlated core | -89.7794620 |
difference | -0.0040727 |