III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/aug-cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -535.1878140 |
correlated core | -535.2987268 |
difference | -0.1109128 |
Energy (hartrees) | |
---|---|
frozen core | -535.1878311 |
correlated core | -535.2987268 |
difference | -0.1108957 |
Energy (hartrees) | |
---|---|
frozen core | -535.1878140 |
correlated core | -535.2987437 |
difference | -0.1109297 |
Energy (hartrees) | |
---|---|
frozen core | -535.1878311 |
correlated core | -535.2987437 |
difference | -0.1109126 |