III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -364.1858041 |
correlated core | -364.2582163 |
difference | -0.0724121 |
Energy (hartrees) | |
---|---|
frozen core | -364.1858040 |
correlated core | -364.2582163 |
difference | -0.0724122 |
Energy (hartrees) | |
---|---|
frozen core | -364.1858040 |
correlated core | -364.2582163 |
difference | -0.0724122 |
Energy (hartrees) | |
---|---|
frozen core | -364.1858041 |
correlated core | -364.2582163 |
difference | -0.0724121 |
Energy (hartrees) | |
---|---|
frozen core | -364.1858040 |
correlated core | -364.2582163 |
difference | -0.0724122 |
Energy (hartrees) | |
---|---|
frozen core | -364.1858040 |
correlated core | -364.2582163 |
difference | -0.0724122 |