III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -1974.9806703 |
correlated core | -1974.9823276 |
difference | -0.0016572 |
Energy (hartrees) | |
---|---|
frozen core | -1974.9806704 |
correlated core | -1974.9823276 |
difference | -0.0016572 |
Energy (hartrees) | |
---|---|
frozen core | -1974.9806703 |
correlated core | -1974.9823276 |
difference | -0.0016573 |
Energy (hartrees) | |
---|---|
frozen core | -1974.9806704 |
correlated core | -1974.9823276 |
difference | -0.0016572 |