III.G.10.a. |
Energy differences between frozen core and full core for MP4/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -37.7613699 |
correlated core | -37.7632975 |
difference | -0.0019277 |
Energy (hartrees) | |
---|---|
frozen core | -37.7613699 |
correlated core | -37.7632975 |
difference | -0.0019277 |
Energy (hartrees) | |
---|---|
frozen core | -37.7619968 |
correlated core | -37.7632975 |
difference | -0.0013008 |
Energy (hartrees) | |
---|---|
frozen core | -37.7619968 |
correlated core | -37.7632975 |
difference | -0.0013008 |