III.G.10.a. |
Energy differences between frozen core and full core for MP4/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -108.5398724 |
correlated core | -108.5430993 |
difference | -0.0032269 |
Energy (hartrees) | |
---|---|
frozen core | -108.5398724 |
correlated core | -108.5430993 |
difference | -0.0032269 |
Energy (hartrees) | |
---|---|
frozen core | -108.5398724 |
correlated core | -108.5430993 |
difference | -0.0032269 |
Energy (hartrees) | |
---|---|
frozen core | -108.5398724 |
correlated core | -108.5430993 |
difference | -0.0032269 |