III.G.10.a. |
Energy differences between frozen core and full core for MP4/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -79.5965842 |
correlated core | -79.6023060 |
difference | -0.0057219 |
Energy (hartrees) | |
---|---|
frozen core | -79.5965842 |
correlated core | -79.6023060 |
difference | -0.0057218 |
Energy (hartrees) | |
---|---|
frozen core | -79.5965842 |
correlated core | -79.6023061 |
difference | -0.0057219 |
Energy (hartrees) | |
---|---|
frozen core | -79.5965842 |
correlated core | -79.6023061 |
difference | -0.0057219 |
Energy (hartrees) | |
---|---|
frozen core | -79.5919343 |
correlated core | -79.5976484 |
difference | -0.0057141 |