III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -236.7899610 |
correlated core | -236.8045000 |
difference | -0.0145390 |
Energy (hartrees) | |
---|---|
frozen core | -236.7899610 |
correlated core | -236.7949153 |
difference | -0.0049543 |
Energy (hartrees) | |
---|---|
frozen core | -236.7899610 |
correlated core | -236.8045000 |
difference | -0.0145390 |
Energy (hartrees) | |
---|---|
frozen core | -236.7899610 |
correlated core | -236.7949153 |
difference | -0.0049543 |
Energy (hartrees) | |
---|---|
frozen core | -236.7899610 |
correlated core | -236.8045000 |
difference | -0.0145390 |
Energy (hartrees) | |
---|---|
frozen core | -236.7899610 |
correlated core | -236.7949153 |
difference | -0.0049543 |