III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -1203.8958168 |
correlated core | -1203.9323797 |
difference | -0.0365630 |
Energy (hartrees) | |
---|---|
frozen core | -1203.8958168 |
correlated core | -1203.9323797 |
difference | -0.0365630 |
Energy (hartrees) | |
---|---|
frozen core | -1203.8958168 |
correlated core | -1203.9323797 |
difference | -0.0365630 |
Energy (hartrees) | |
---|---|
frozen core | -1203.8958168 |
correlated core | -1203.9323797 |
difference | -0.0365630 |