III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -291.4066315 |
correlated core | -291.4710175 |
difference | -0.0643861 |
Energy (hartrees) | |
---|---|
frozen core | -291.4066315 |
correlated core | -291.4710175 |
difference | -0.0643861 |
Energy (hartrees) | |
---|---|
frozen core | -291.4066318 |
correlated core | -291.4710175 |
difference | -0.0643857 |
Energy (hartrees) | |
---|---|
frozen core | -291.4066315 |
correlated core | -291.4710175 |
difference | -0.0643860 |
Energy (hartrees) | |
---|---|
frozen core | -291.4066315 |
correlated core | -291.4710175 |
difference | -0.0643861 |
Energy (hartrees) | |
---|---|
frozen core | -291.4066318 |
correlated core | -291.4710175 |
difference | -0.0643857 |