III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/daug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -460.6973399 |
correlated core | -460.7082459 |
difference | -0.0109060 |
Energy (hartrees) | |
---|---|
frozen core | -460.6973411 |
correlated core | -460.7082459 |
difference | -0.0109048 |
Energy (hartrees) | |
---|---|
frozen core | -460.6973399 |
correlated core | -460.7082471 |
difference | -0.0109073 |
Energy (hartrees) | |
---|---|
frozen core | -460.6973411 |
correlated core | -460.7082471 |
difference | -0.0109060 |