III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -388.6135331 |
correlated core | -388.6215826 |
difference | -0.0080494 |
Energy (hartrees) | |
---|---|
frozen core | -388.6135331 |
correlated core | -388.6215824 |
difference | -0.0080493 |
Energy (hartrees) | |
---|---|
frozen core | -388.6135329 |
correlated core | -388.6215826 |
difference | -0.0080496 |
Energy (hartrees) | |
---|---|
frozen core | -388.6135329 |
correlated core | -388.6215824 |
difference | -0.0080494 |