III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -579.1162324 |
correlated core | -579.2336488 |
difference | -0.1174164 |
Energy (hartrees) | |
---|---|
frozen core | -579.1460588 |
correlated core | -579.2603212 |
difference | -0.1142624 |
Energy (hartrees) | |
---|---|
frozen core | -579.1762623 |
correlated core | -579.2916244 |
difference | -0.1153621 |
Energy (hartrees) | |
---|---|
frozen core | -579.1608521 |
correlated core | -579.2761097 |
difference | -0.1152576 |