III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -79.7540495 |
correlated core | -79.7637991 |
difference | -0.0097496 |
Energy (hartrees) | |
---|---|
frozen core | -79.7540515 |
correlated core | -79.7637991 |
difference | -0.0097476 |
Energy (hartrees) | |
---|---|
frozen core | -79.7540495 |
correlated core | -79.7638010 |
difference | -0.0097515 |
Energy (hartrees) | |
---|---|
frozen core | -79.7540515 |
correlated core | -79.7638010 |
difference | -0.0097495 |