III.G.10.a. |
Energy differences between frozen core and full core for MP4/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2409317 |
correlated core | -76.2430412 |
difference | -0.0021095 |
Energy (hartrees) | |
---|---|
frozen core | -76.2409317 |
correlated core | -76.2430413 |
difference | -0.0021096 |
Energy (hartrees) | |
---|---|
frozen core | -76.2409317 |
correlated core | -76.2430412 |
difference | -0.0021096 |
Energy (hartrees) | |
---|---|
frozen core | -76.2409317 |
correlated core | -76.2430413 |
difference | -0.0021096 |