III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -2380.9466421 |
correlated core | -2380.9822809 |
difference | -0.0356388 |
Energy (hartrees) | |
---|---|
frozen core | -2380.9466421 |
correlated core | -2380.9822809 |
difference | -0.0356388 |
Energy (hartrees) | |
---|---|
frozen core | -2380.9466421 |
correlated core | -2380.9822809 |
difference | -0.0356388 |
Energy (hartrees) | |
---|---|
frozen core | -2380.9466421 |
correlated core | -2380.9822809 |
difference | -0.0356388 |
Energy (hartrees) | |
---|---|
frozen core | -2380.9466421 |
correlated core | -2380.9822809 |
difference | -0.0356388 |
Energy (hartrees) | |
---|---|
frozen core | -2380.9466421 |
correlated core | -2380.9822809 |
difference | -0.0356388 |