III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -25.1719960 |
correlated core | -25.1758703 |
difference | -0.0038743 |
Energy (hartrees) | |
---|---|
frozen core | -25.1719960 |
correlated core | -25.1758704 |
difference | -0.0038744 |
Energy (hartrees) | |
---|---|
frozen core | -25.1719960 |
correlated core | -25.1758705 |
difference | -0.0038745 |
Energy (hartrees) | |
---|---|
frozen core | -25.1719959 |
correlated core | -25.1758703 |
difference | -0.0038744 |
Energy (hartrees) | |
---|---|
frozen core | -25.1719959 |
correlated core | -25.1758704 |
difference | -0.0038745 |
Energy (hartrees) | |
---|---|
frozen core | -25.1719959 |
correlated core | -25.1758705 |
difference | -0.0038746 |
Energy (hartrees) | |
---|---|
frozen core | -25.1719959 |
correlated core | -25.1758703 |
difference | -0.0038744 |
Energy (hartrees) | |
---|---|
frozen core | -25.1719959 |
correlated core | -25.1758704 |
difference | -0.0038745 |
Energy (hartrees) | |
---|---|
frozen core | -25.1719959 |
correlated core | -25.1758705 |
difference | -0.0038746 |