III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -139.7358988 |
correlated core | -139.8195906 |
difference | -0.0836918 |
Energy (hartrees) | |
---|---|
frozen core | -139.7358990 |
correlated core | -139.8195906 |
difference | -0.0836916 |
Energy (hartrees) | |
---|---|
frozen core | -139.7358988 |
correlated core | -139.8195908 |
difference | -0.0836920 |
Energy (hartrees) | |
---|---|
frozen core | -139.7358990 |
correlated core | -139.8195908 |
difference | -0.0836918 |