III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -388.7561439 |
correlated core | -388.8235472 |
difference | -0.0674032 |
Energy (hartrees) | |
---|---|
frozen core | -388.7561439 |
correlated core | -388.8235471 |
difference | -0.0674032 |
Energy (hartrees) | |
---|---|
frozen core | -388.7561438 |
correlated core | -388.8235472 |
difference | -0.0674033 |
Energy (hartrees) | |
---|---|
frozen core | -388.7561438 |
correlated core | -388.8235471 |
difference | -0.0674033 |