III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -111.6755078 |
correlated core | -111.6759720 |
difference | -0.0004643 |
Energy (hartrees) | |
---|---|
frozen core | -111.6755078 |
correlated core | -111.6759720 |
difference | -0.0004642 |
Energy (hartrees) | |
---|---|
frozen core | -111.6755077 |
correlated core | -111.6759720 |
difference | -0.0004643 |
Energy (hartrees) | |
---|---|
frozen core | -111.6755077 |
correlated core | -111.6759720 |
difference | -0.0004643 |