III.G.10.a. |
Energy differences between frozen core and full core for MP3/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9301148 |
correlated core | -399.2601571 |
difference | -0.3300423 |
Energy (hartrees) | |
---|---|
frozen core | -398.9301148 |
correlated core | -399.2601571 |
difference | -0.3300423 |
Energy (hartrees) | |
---|---|
frozen core | -398.9301148 |
correlated core | -399.2601571 |
difference | -0.3300423 |
Energy (hartrees) | |
---|---|
frozen core | -398.9301148 |
correlated core | -399.2601571 |
difference | -0.3300423 |