III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -75.5583377 |
correlated core | -75.5767197 |
difference | -0.0183820 |
Energy (hartrees) | |
---|---|
frozen core | -75.5583377 |
correlated core | -75.5767197 |
difference | -0.0183820 |
Energy (hartrees) | |
---|---|
frozen core | -75.5583377 |
correlated core | -75.5767197 |
difference | -0.0183820 |
Energy (hartrees) | |
---|---|
frozen core | -75.5583377 |
correlated core | -75.5767197 |
difference | -0.0183820 |
Energy (hartrees) | |
---|---|
frozen core | -75.5583377 |
correlated core | -75.5767197 |
difference | -0.0183820 |
Energy (hartrees) | |
---|---|
frozen core | -75.5583377 |
correlated core | -75.5767197 |
difference | -0.0183820 |