III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -79.5839011 |
correlated core | -79.5999018 |
difference | -0.0160007 |
Energy (hartrees) | |
---|---|
frozen core | -79.5839011 |
correlated core | -79.5999018 |
difference | -0.0160007 |
Energy (hartrees) | |
---|---|
frozen core | -79.5839017 |
correlated core | -79.5999018 |
difference | -0.0160001 |
Energy (hartrees) | |
---|---|
frozen core | -79.5839011 |
correlated core | -79.5999018 |
difference | -0.0160008 |
Energy (hartrees) | |
---|---|
frozen core | -79.5839011 |
correlated core | -79.5999018 |
difference | -0.0160008 |
Energy (hartrees) | |
---|---|
frozen core | -79.5839017 |
correlated core | -79.5999018 |
difference | -0.0160001 |
Energy (hartrees) | |
---|---|
frozen core | -79.5839011 |
correlated core | -79.5999019 |
difference | -0.0160008 |
Energy (hartrees) | |
---|---|
frozen core | -79.5839011 |
correlated core | -79.5999019 |
difference | -0.0160008 |
Energy (hartrees) | |
---|---|
frozen core | -79.5839017 |
correlated core | -79.5999019 |
difference | -0.0160002 |
Energy (hartrees) | |
---|---|
frozen core | -79.5792429 |
correlated core | -79.5952426 |
difference | -0.0159997 |