III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -288.3608054 |
correlated core | -288.3619459 |
difference | -0.0011405 |
Energy (hartrees) | |
---|---|
frozen core | -288.3607962 |
correlated core | -288.3619459 |
difference | -0.0011498 |
Energy (hartrees) | |
---|---|
frozen core | -288.3608054 |
correlated core | -288.3619367 |
difference | -0.0011313 |
Energy (hartrees) | |
---|---|
frozen core | -288.3607962 |
correlated core | -288.3619367 |
difference | -0.0011405 |