III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2349518 |
correlated core | -76.2536535 |
difference | -0.0187017 |
Energy (hartrees) | |
---|---|
frozen core | -76.2349517 |
correlated core | -76.2536535 |
difference | -0.0187018 |
Energy (hartrees) | |
---|---|
frozen core | -76.2349518 |
correlated core | -76.2536535 |
difference | -0.0187017 |
Energy (hartrees) | |
---|---|
frozen core | -76.2349518 |
correlated core | -76.2536534 |
difference | -0.0187017 |
Energy (hartrees) | |
---|---|
frozen core | -76.2349517 |
correlated core | -76.2536534 |
difference | -0.0187017 |
Energy (hartrees) | |
---|---|
frozen core | -76.2349518 |
correlated core | -76.2536534 |
difference | -0.0187017 |
Energy (hartrees) | |
---|---|
frozen core | -76.2349518 |
correlated core | -76.2536534 |
difference | -0.0187016 |
Energy (hartrees) | |
---|---|
frozen core | -76.2349517 |
correlated core | -76.2536534 |
difference | -0.0187017 |
Energy (hartrees) | |
---|---|
frozen core | -76.2349518 |
correlated core | -76.2536534 |
difference | -0.0187016 |