III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G*
For ()Energy (hartrees) | |
---|---|
frozen core | -26.4720949 |
correlated core | -26.4890410 |
difference | -0.0169460 |
Energy (hartrees) | |
---|---|
frozen core | -26.4720949 |
correlated core | -26.4890410 |
difference | -0.0169460 |
Energy (hartrees) | |
---|---|
frozen core | -26.4720949 |
correlated core | -26.4890410 |
difference | -0.0169460 |
Energy (hartrees) | |
---|---|
frozen core | -26.4720949 |
correlated core | -26.4890410 |
difference | -0.0169460 |
Energy (hartrees) | |
---|---|
frozen core | -26.4720951 |
correlated core | -26.4890410 |
difference | -0.0169459 |
Energy (hartrees) | |
---|---|
frozen core | -26.4720951 |
correlated core | -26.4890410 |
difference | -0.0169459 |