III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -77.6327786 |
correlated core | -77.6693612 |
difference | -0.0365827 |
Energy (hartrees) | |
---|---|
frozen core | -77.6327786 |
correlated core | -77.6693612 |
difference | -0.0365827 |
Energy (hartrees) | |
---|---|
frozen core | -77.6327786 |
correlated core | -77.6693612 |
difference | -0.0365827 |
Energy (hartrees) | |
---|---|
frozen core | -77.6327786 |
correlated core | -77.6693612 |
difference | -0.0365827 |
Energy (hartrees) | |
---|---|
frozen core | -77.6327786 |
correlated core | -77.6693612 |
difference | -0.0365826 |
Energy (hartrees) | |
---|---|
frozen core | -77.6327786 |
correlated core | -77.6693612 |
difference | -0.0365826 |