III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -291.3719258 |
correlated core | -291.4962139 |
difference | -0.1242881 |
Energy (hartrees) | |
---|---|
frozen core | -291.3719258 |
correlated core | -291.4962139 |
difference | -0.1242881 |
Energy (hartrees) | |
---|---|
frozen core | -291.3719259 |
correlated core | -291.4962139 |
difference | -0.1242881 |
Energy (hartrees) | |
---|---|
frozen core | -291.3719258 |
correlated core | -291.4962139 |
difference | -0.1242881 |
Energy (hartrees) | |
---|---|
frozen core | -291.3719258 |
correlated core | -291.4962139 |
difference | -0.1242881 |
Energy (hartrees) | |
---|---|
frozen core | -291.3719259 |
correlated core | -291.4962139 |
difference | -0.1242881 |
Energy (hartrees) | |
---|---|
frozen core | -291.3719258 |
correlated core | -291.4962139 |
difference | -0.1242881 |
Energy (hartrees) | |
---|---|
frozen core | -291.3719258 |
correlated core | -291.4962139 |
difference | -0.1242881 |
Energy (hartrees) | |
---|---|
frozen core | -291.3719259 |
correlated core | -291.4962139 |
difference | -0.1242881 |