III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -26.4642438 |
correlated core | -26.4685685 |
difference | -0.0043247 |
Energy (hartrees) | |
---|---|
frozen core | -26.4642438 |
correlated core | -26.4685685 |
difference | -0.0043247 |
Energy (hartrees) | |
---|---|
frozen core | -26.4642438 |
correlated core | -26.4685685 |
difference | -0.0043247 |
Energy (hartrees) | |
---|---|
frozen core | -26.4642438 |
correlated core | -26.4685685 |
difference | -0.0043247 |
Energy (hartrees) | |
---|---|
frozen core | -26.4642438 |
correlated core | -26.4685685 |
difference | -0.0043247 |
Energy (hartrees) | |
---|---|
frozen core | -26.4642438 |
correlated core | -26.4685685 |
difference | -0.0043247 |