III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -342.3054641 |
correlated core | -342.3522045 |
difference | -0.0467404 |
Energy (hartrees) | |
---|---|
frozen core | -342.3054640 |
correlated core | -342.3522045 |
difference | -0.0467404 |
Energy (hartrees) | |
---|---|
frozen core | -342.3054641 |
correlated core | -342.3522044 |
difference | -0.0467404 |
Energy (hartrees) | |
---|---|
frozen core | -342.3054640 |
correlated core | -342.3522044 |
difference | -0.0467404 |