III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G
For ()Energy (hartrees) | |
---|---|
frozen core | -79.3856043 |
correlated core | -79.3881911 |
difference | -0.0025869 |
Energy (hartrees) | |
---|---|
frozen core | -79.3856043 |
correlated core | -79.3881911 |
difference | -0.0025869 |
Energy (hartrees) | |
---|---|
frozen core | -79.3856042 |
correlated core | -79.3881911 |
difference | -0.0025869 |
Energy (hartrees) | |
---|---|
frozen core | -79.3856043 |
correlated core | -79.3881911 |
difference | -0.0025868 |
Energy (hartrees) | |
---|---|
frozen core | -79.3856043 |
correlated core | -79.3881911 |
difference | -0.0025868 |
Energy (hartrees) | |
---|---|
frozen core | -79.3856042 |
correlated core | -79.3881911 |
difference | -0.0025869 |
Energy (hartrees) | |
---|---|
frozen core | -79.3856043 |
correlated core | -79.3881911 |
difference | -0.0025868 |
Energy (hartrees) | |
---|---|
frozen core | -79.3856043 |
correlated core | -79.3881911 |
difference | -0.0025868 |
Energy (hartrees) | |
---|---|
frozen core | -79.3856042 |
correlated core | -79.3881911 |
difference | -0.0025869 |
Energy (hartrees) | |
---|---|
frozen core | -79.3807106 |
correlated core | -79.3832965 |
difference | -0.0025859 |