III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -579.0348599 |
correlated core | -579.2829194 |
difference | -0.2480594 |
Energy (hartrees) | |
---|---|
frozen core | -579.0670269 |
correlated core | -579.3156198 |
difference | -0.2485929 |
Energy (hartrees) | |
---|---|
frozen core | -579.0860208 |
correlated core | -579.3350188 |
difference | -0.2489980 |
Energy (hartrees) | |
---|---|
frozen core | -579.0739566 |
correlated core | -579.3227235 |
difference | -0.2487669 |