III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -515.3848578 |
correlated core | -515.3933382 |
difference | -0.0084804 |
Energy (hartrees) | |
---|---|
frozen core | -515.3848575 |
correlated core | -515.3933382 |
difference | -0.0084806 |
Energy (hartrees) | |
---|---|
frozen core | -515.3848578 |
correlated core | -515.3933379 |
difference | -0.0084801 |
Energy (hartrees) | |
---|---|
frozen core | -515.3848575 |
correlated core | -515.3933379 |
difference | -0.0084803 |