III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -323.7063905 |
correlated core | -323.7114730 |
difference | -0.0050826 |
Energy (hartrees) | |
---|---|
frozen core | -323.7063905 |
correlated core | -323.7114730 |
difference | -0.0050826 |
Energy (hartrees) | |
---|---|
frozen core | -323.7063905 |
correlated core | -323.7114730 |
difference | -0.0050826 |
Energy (hartrees) | |
---|---|
frozen core | -323.7063905 |
correlated core | -323.7114730 |
difference | -0.0050826 |