III.G.10.a. |
Energy differences between frozen core and full core for MP3/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -152.4821454 |
correlated core | -152.4864285 |
difference | -0.0042831 |
Energy (hartrees) | |
---|---|
frozen core | -152.4821454 |
correlated core | -152.4864285 |
difference | -0.0042831 |
Energy (hartrees) | |
---|---|
frozen core | -152.4821454 |
correlated core | -152.4864284 |
difference | -0.0042830 |
Energy (hartrees) | |
---|---|
frozen core | -152.4821454 |
correlated core | -152.4864284 |
difference | -0.0042830 |