III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -241.9040801 |
correlated core | -241.9084094 |
difference | -0.0043293 |
Energy (hartrees) | |
---|---|
frozen core | -241.9040801 |
correlated core | -241.9084093 |
difference | -0.0043292 |
Energy (hartrees) | |
---|---|
frozen core | -241.9040800 |
correlated core | -241.9084094 |
difference | -0.0043294 |
Energy (hartrees) | |
---|---|
frozen core | -241.9040800 |
correlated core | -241.9084093 |
difference | -0.0043293 |