III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -291.3642815 |
correlated core | -291.3831339 |
difference | -0.0188524 |
Energy (hartrees) | |
---|---|
frozen core | -291.3642815 |
correlated core | -291.3831339 |
difference | -0.0188524 |
Energy (hartrees) | |
---|---|
frozen core | -291.3642816 |
correlated core | -291.3831339 |
difference | -0.0188523 |
Energy (hartrees) | |
---|---|
frozen core | -291.3642815 |
correlated core | -291.3831339 |
difference | -0.0188524 |
Energy (hartrees) | |
---|---|
frozen core | -291.3642815 |
correlated core | -291.3831339 |
difference | -0.0188524 |
Energy (hartrees) | |
---|---|
frozen core | -291.3642816 |
correlated core | -291.3831339 |
difference | -0.0188523 |