III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -148.4641176 |
correlated core | -148.5075976 |
difference | -0.0434801 |
Energy (hartrees) | |
---|---|
frozen core | -148.4641171 |
correlated core | -148.5075976 |
difference | -0.0434805 |
Energy (hartrees) | |
---|---|
frozen core | -148.4641173 |
correlated core | -148.5075976 |
difference | -0.0434804 |
Energy (hartrees) | |
---|---|
frozen core | -148.4641176 |
correlated core | -148.5075974 |
difference | -0.0434799 |
Energy (hartrees) | |
---|---|
frozen core | -148.4641171 |
correlated core | -148.5075974 |
difference | -0.0434803 |
Energy (hartrees) | |
---|---|
frozen core | -148.4641173 |
correlated core | -148.5075974 |
difference | -0.0434802 |