III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -452.3339598 |
correlated core | -452.3836131 |
difference | -0.0496532 |
Energy (hartrees) | |
---|---|
frozen core | -452.3339598 |
correlated core | -452.3836129 |
difference | -0.0496530 |
Energy (hartrees) | |
---|---|
frozen core | -452.3339597 |
correlated core | -452.3836131 |
difference | -0.0496533 |
Energy (hartrees) | |
---|---|
frozen core | -452.3339597 |
correlated core | -452.3836129 |
difference | -0.0496531 |