III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -25.1836364 |
correlated core | -25.2002158 |
difference | -0.0165794 |
Energy (hartrees) | |
---|---|
frozen core | -25.1836364 |
correlated core | -25.2002158 |
difference | -0.0165794 |
Energy (hartrees) | |
---|---|
frozen core | -25.1836365 |
correlated core | -25.2002158 |
difference | -0.0165794 |
Energy (hartrees) | |
---|---|
frozen core | -25.1836365 |
correlated core | -25.2002158 |
difference | -0.0165794 |