III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -2076.6797330 |
correlated core | -2076.8188634 |
difference | -0.1391304 |
Energy (hartrees) | |
---|---|
frozen core | -2076.6797330 |
correlated core | -2076.8188634 |
difference | -0.1391305 |
Energy (hartrees) | |
---|---|
frozen core | -2076.6797330 |
correlated core | -2076.8188633 |
difference | -0.1391303 |
Energy (hartrees) | |
---|---|
frozen core | -2076.6797330 |
correlated core | -2076.8188633 |
difference | -0.1391304 |