III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -2.9344888 |
correlated core | -2.9344888 |
difference | 0.0000000 |
Energy (hartrees) | |
---|---|
frozen core | -2.9344888 |
correlated core | -2.9344888 |
difference | 0.0000000 |
Energy (hartrees) | |
---|---|
frozen core | -2.9344889 |
correlated core | -2.9344888 |
difference | 0.0000001 |
Energy (hartrees) | |
---|---|
frozen core | -2.9344888 |
correlated core | -2.9344888 |
difference | -0.0000000 |
Energy (hartrees) | |
---|---|
frozen core | -2.9344888 |
correlated core | -2.9344888 |
difference | 0.0000000 |
Energy (hartrees) | |
---|---|
frozen core | -2.9344889 |
correlated core | -2.9344888 |
difference | 0.0000001 |