III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -493.1287401 |
correlated core | -493.1291250 |
difference | -0.0003848 |
Energy (hartrees) | |
---|---|
frozen core | -493.1287401 |
correlated core | -493.1291250 |
difference | -0.0003848 |
Energy (hartrees) | |
---|---|
frozen core | -493.1287401 |
correlated core | -493.1291250 |
difference | -0.0003848 |
Energy (hartrees) | |
---|---|
frozen core | -493.1287401 |
correlated core | -493.1291250 |
difference | -0.0003848 |
Energy (hartrees) | |
---|---|
frozen core | -493.1267770 |
correlated core | -493.1271662 |
difference | -0.0003892 |