III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.4069507 |
correlated core | -76.4108514 |
difference | -0.0039007 |
Energy (hartrees) | |
---|---|
frozen core | -76.4069507 |
correlated core | -76.4108520 |
difference | -0.0039014 |
Energy (hartrees) | |
---|---|
frozen core | -76.4069504 |
correlated core | -76.4108514 |
difference | -0.0039010 |
Energy (hartrees) | |
---|---|
frozen core | -76.4069504 |
correlated core | -76.4108520 |
difference | -0.0039017 |
Energy (hartrees) | |
---|---|
frozen core | -76.4069513 |
correlated core | -76.4108514 |
difference | -0.0039001 |
Energy (hartrees) | |
---|---|
frozen core | -76.4069513 |
correlated core | -76.4108520 |
difference | -0.0039007 |