III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -162.1651515 |
correlated core | -162.2949867 |
difference | -0.1298352 |
Energy (hartrees) | |
---|---|
frozen core | -162.1651515 |
correlated core | -162.2949867 |
difference | -0.1298352 |
Energy (hartrees) | |
---|---|
frozen core | -162.1651515 |
correlated core | -162.2949867 |
difference | -0.1298352 |
Energy (hartrees) | |
---|---|
frozen core | -162.1651515 |
correlated core | -162.2949867 |
difference | -0.1298352 |
Energy (hartrees) | |
---|---|
frozen core | -162.1651515 |
correlated core | -162.2949867 |
difference | -0.1298352 |
Energy (hartrees) | |
---|---|
frozen core | -162.1651515 |
correlated core | -162.2949867 |
difference | -0.1298352 |