III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2609098 |
correlated core | -76.2633850 |
difference | -0.0024752 |
Energy (hartrees) | |
---|---|
frozen core | -76.2609098 |
correlated core | -76.2633850 |
difference | -0.0024752 |
Energy (hartrees) | |
---|---|
frozen core | -76.2609098 |
correlated core | -76.2633849 |
difference | -0.0024752 |
Energy (hartrees) | |
---|---|
frozen core | -76.2609097 |
correlated core | -76.2633850 |
difference | -0.0024753 |
Energy (hartrees) | |
---|---|
frozen core | -76.2609097 |
correlated core | -76.2633850 |
difference | -0.0024753 |
Energy (hartrees) | |
---|---|
frozen core | -76.2609097 |
correlated core | -76.2633849 |
difference | -0.0024753 |