III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-31G(2df,p)
For ()Energy (hartrees) | |
---|---|
frozen core | -99.5548830 |
correlated core | -99.5590374 |
difference | -0.0041545 |
Energy (hartrees) | |
---|---|
frozen core | -99.5548830 |
correlated core | -99.5590374 |
difference | -0.0041545 |
Energy (hartrees) | |
---|---|
frozen core | -99.5548830 |
correlated core | -99.5590374 |
difference | -0.0041545 |
Energy (hartrees) | |
---|---|
frozen core | -99.5548830 |
correlated core | -99.5590374 |
difference | -0.0041545 |