III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -79.0702806 |
correlated core | -79.0795608 |
difference | -0.0092802 |
Energy (hartrees) | |
---|---|
frozen core | -79.0702805 |
correlated core | -79.0795608 |
difference | -0.0092803 |
Energy (hartrees) | |
---|---|
frozen core | -79.0702807 |
correlated core | -79.0795608 |
difference | -0.0092802 |
Energy (hartrees) | |
---|---|
frozen core | -79.0702804 |
correlated core | -79.0795608 |
difference | -0.0092804 |