III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -291.4201406 |
correlated core | -291.4722525 |
difference | -0.0521119 |
Energy (hartrees) | |
---|---|
frozen core | -291.4201406 |
correlated core | -291.4722525 |
difference | -0.0521119 |
Energy (hartrees) | |
---|---|
frozen core | -291.4201406 |
correlated core | -291.4722525 |
difference | -0.0521119 |
Energy (hartrees) | |
---|---|
frozen core | -291.4201406 |
correlated core | -291.4722525 |
difference | -0.0521119 |