III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -467.2589174 |
correlated core | -467.3078173 |
difference | -0.0489000 |
Energy (hartrees) | |
---|---|
frozen core | -467.2589174 |
correlated core | -467.3078173 |
difference | -0.0489000 |
Energy (hartrees) | |
---|---|
frozen core | -467.2589174 |
correlated core | -467.3078173 |
difference | -0.0488999 |