III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -25.2094622 |
correlated core | -25.2319128 |
difference | -0.0224506 |
Energy (hartrees) | |
---|---|
frozen core | -25.2094620 |
correlated core | -25.2319128 |
difference | -0.0224508 |
Energy (hartrees) | |
---|---|
frozen core | -25.2094622 |
correlated core | -25.2319123 |
difference | -0.0224501 |
Energy (hartrees) | |
---|---|
frozen core | -25.2094620 |
correlated core | -25.2319123 |
difference | -0.0224503 |