III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -79.5757401 |
correlated core | -79.6097403 |
difference | -0.0340002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5757401 |
correlated core | -79.6097403 |
difference | -0.0340002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5757401 |
correlated core | -79.6097403 |
difference | -0.0340002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5757401 |
correlated core | -79.6097403 |
difference | -0.0340002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5757401 |
correlated core | -79.6097403 |
difference | -0.0340002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5757401 |
correlated core | -79.6097403 |
difference | -0.0340002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5757401 |
correlated core | -79.6097403 |
difference | -0.0340002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5757401 |
correlated core | -79.6097403 |
difference | -0.0340002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5757401 |
correlated core | -79.6097403 |
difference | -0.0340002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5707278 |
correlated core | -79.6047295 |
difference | -0.0340016 |