III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -174.3736078 |
correlated core | -174.3811028 |
difference | -0.0074950 |
Energy (hartrees) | |
---|---|
frozen core | -174.3736078 |
correlated core | -174.3811028 |
difference | -0.0074950 |
Energy (hartrees) | |
---|---|
frozen core | -174.3736078 |
correlated core | -174.3811028 |
difference | -0.0074950 |
Energy (hartrees) | |
---|---|
frozen core | -174.3736078 |
correlated core | -174.3811028 |
difference | -0.0074950 |