III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7610891 |
correlated core | -498.7709049 |
difference | -0.0098158 |
Energy (hartrees) | |
---|---|
frozen core | -498.7610891 |
correlated core | -498.7709049 |
difference | -0.0098158 |
Energy (hartrees) | |
---|---|
frozen core | -498.7610891 |
correlated core | -498.7709049 |
difference | -0.0098158 |
Energy (hartrees) | |
---|---|
frozen core | -498.7610891 |
correlated core | -498.7709049 |
difference | -0.0098158 |
Energy (hartrees) | |
---|---|
frozen core | -498.7610481 |
correlated core | -498.7708733 |
difference | -0.0098252 |