III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -40.3325525 |
correlated core | -40.3370426 |
difference | -0.0044901 |
Energy (hartrees) | |
---|---|
frozen core | -40.3325525 |
correlated core | -40.3370426 |
difference | -0.0044901 |
Energy (hartrees) | |
---|---|
frozen core | -40.3325525 |
correlated core | -40.3370426 |
difference | -0.0044901 |
Energy (hartrees) | |
---|---|
frozen core | -40.3325525 |
correlated core | -40.3370426 |
difference | -0.0044901 |
Energy (hartrees) | |
---|---|
frozen core | -40.3325525 |
correlated core | -40.3370426 |
difference | -0.0044901 |
Energy (hartrees) | |
---|---|
frozen core | -40.3325525 |
correlated core | -40.3370426 |
difference | -0.0044901 |
Energy (hartrees) | |
---|---|
frozen core | -40.3325525 |
correlated core | -40.3370426 |
difference | -0.0044902 |
Energy (hartrees) | |
---|---|
frozen core | -40.3325525 |
correlated core | -40.3370426 |
difference | -0.0044902 |
Energy (hartrees) | |
---|---|
frozen core | -40.3325525 |
correlated core | -40.3370426 |
difference | -0.0044902 |
Energy (hartrees) | |
---|---|
frozen core | -40.3325525 |
correlated core | -40.3370426 |
difference | -0.0044901 |
Energy (hartrees) | |
---|---|
frozen core | -40.3325525 |
correlated core | -40.3370426 |
difference | -0.0044901 |
Energy (hartrees) | |
---|---|
frozen core | -40.3325525 |
correlated core | -40.3370426 |
difference | -0.0044901 |