III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -291.4067591 |
correlated core | -291.7245202 |
difference | -0.3177611 |
Energy (hartrees) | |
---|---|
frozen core | -291.4067591 |
correlated core | -291.7245202 |
difference | -0.3177611 |
Energy (hartrees) | |
---|---|
frozen core | -291.4067591 |
correlated core | -291.7245202 |
difference | -0.3177610 |
Energy (hartrees) | |
---|---|
frozen core | -291.4067591 |
correlated core | -291.7245202 |
difference | -0.3177611 |