III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -277.8773860 |
correlated core | -277.9349496 |
difference | -0.0575636 |
Energy (hartrees) | |
---|---|
frozen core | -277.8773860 |
correlated core | -277.9349496 |
difference | -0.0575636 |
Energy (hartrees) | |
---|---|
frozen core | -277.8773860 |
correlated core | -277.9349496 |
difference | -0.0575636 |
Energy (hartrees) | |
---|---|
frozen core | -277.8773860 |
correlated core | -277.9349496 |
difference | -0.0575636 |
Energy (hartrees) | |
---|---|
frozen core | -277.8785944 |
correlated core | -277.9361873 |
difference | -0.0575929 |
Energy (hartrees) | |
---|---|
frozen core | -277.8785944 |
correlated core | -277.9361873 |
difference | -0.0575929 |
Energy (hartrees) | |
---|---|
frozen core | -277.8785944 |
correlated core | -277.9361873 |
difference | -0.0575929 |
Energy (hartrees) | |
---|---|
frozen core | -277.8785944 |
correlated core | -277.9361873 |
difference | -0.0575929 |
Energy (hartrees) | |
---|---|
frozen core | -277.8785945 |
correlated core | -277.9361873 |
difference | -0.0575927 |
Energy (hartrees) | |
---|---|
frozen core | -277.8785945 |
correlated core | -277.9361873 |
difference | -0.0575927 |