III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.4146107 |
correlated core | -76.4189474 |
difference | -0.0043367 |
Energy (hartrees) | |
---|---|
frozen core | -76.4146107 |
correlated core | -76.4189483 |
difference | -0.0043376 |
Energy (hartrees) | |
---|---|
frozen core | -76.4146105 |
correlated core | -76.4189474 |
difference | -0.0043369 |
Energy (hartrees) | |
---|---|
frozen core | -76.4146105 |
correlated core | -76.4189483 |
difference | -0.0043379 |
Energy (hartrees) | |
---|---|
frozen core | -76.4146117 |
correlated core | -76.4189474 |
difference | -0.0043357 |
Energy (hartrees) | |
---|---|
frozen core | -76.4146117 |
correlated core | -76.4189483 |
difference | -0.0043367 |