III.G.10.a. |
Energy differences between frozen core and full core for MP4/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3330532 |
correlated core | -76.3466451 |
difference | -0.0135919 |
Energy (hartrees) | |
---|---|
frozen core | -76.3330532 |
correlated core | -76.3466452 |
difference | -0.0135920 |
Energy (hartrees) | |
---|---|
frozen core | -76.3330534 |
correlated core | -76.3466451 |
difference | -0.0135917 |
Energy (hartrees) | |
---|---|
frozen core | -76.3330534 |
correlated core | -76.3466452 |
difference | -0.0135918 |