III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -340.7995777 |
correlated core | -340.8389752 |
difference | -0.0393975 |
Energy (hartrees) | |
---|---|
frozen core | -340.7995777 |
correlated core | -340.8389752 |
difference | -0.0393975 |
Energy (hartrees) | |
---|---|
frozen core | -340.7995777 |
correlated core | -340.8389752 |
difference | -0.0393975 |
Energy (hartrees) | |
---|---|
frozen core | -340.7995777 |
correlated core | -340.8389752 |
difference | -0.0393975 |
Energy (hartrees) | |
---|---|
frozen core | -340.7995777 |
correlated core | -340.8389752 |
difference | -0.0393976 |
Energy (hartrees) | |
---|---|
frozen core | -340.7995777 |
correlated core | -340.8389752 |
difference | -0.0393976 |