III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -2400.1325479 |
correlated core | -2400.5089506 |
difference | -0.3764027 |
Energy (hartrees) | |
---|---|
frozen core | -2400.1325479 |
correlated core | -2400.5089506 |
difference | -0.3764027 |
Energy (hartrees) | |
---|---|
frozen core | -2400.1325479 |
correlated core | -2400.5089506 |
difference | -0.3764027 |
Energy (hartrees) | |
---|---|
frozen core | -2400.1325479 |
correlated core | -2400.5089506 |
difference | -0.3764027 |