III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7410313 |
correlated core | -498.7494841 |
difference | -0.0084528 |
Energy (hartrees) | |
---|---|
frozen core | -498.7410313 |
correlated core | -498.7494841 |
difference | -0.0084528 |
Energy (hartrees) | |
---|---|
frozen core | -498.7410313 |
correlated core | -498.7494841 |
difference | -0.0084528 |
Energy (hartrees) | |
---|---|
frozen core | -498.7410313 |
correlated core | -498.7494841 |
difference | -0.0084528 |
Energy (hartrees) | |
---|---|
frozen core | -498.7409026 |
correlated core | -498.7493709 |
difference | -0.0084683 |