III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -1996.2272175 |
correlated core | -1996.2705835 |
difference | -0.0433660 |
Energy (hartrees) | |
---|---|
frozen core | -1996.2272175 |
correlated core | -1996.2705835 |
difference | -0.0433660 |
Energy (hartrees) | |
---|---|
frozen core | -1996.2272175 |
correlated core | -1996.2705835 |
difference | -0.0433660 |
Energy (hartrees) | |
---|---|
frozen core | -1996.2272175 |
correlated core | -1996.2705835 |
difference | -0.0433660 |
Energy (hartrees) | |
---|---|
frozen core | -1996.2272175 |
correlated core | -1996.2705835 |
difference | -0.0433660 |
Energy (hartrees) | |
---|---|
frozen core | -1996.2272175 |
correlated core | -1996.2705835 |
difference | -0.0433661 |