III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -397.8404112 |
correlated core | -397.8468309 |
difference | -0.0064197 |
Energy (hartrees) | |
---|---|
frozen core | -397.8404111 |
correlated core | -397.8468309 |
difference | -0.0064198 |
Energy (hartrees) | |
---|---|
frozen core | -397.8404112 |
correlated core | -397.8468308 |
difference | -0.0064196 |
Energy (hartrees) | |
---|---|
frozen core | -397.8404111 |
correlated core | -397.8468308 |
difference | -0.0064197 |