III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2076.2852282 |
correlated core | -2076.3034524 |
difference | -0.0182242 |
Energy (hartrees) | |
---|---|
frozen core | -2076.2852282 |
correlated core | -2076.3034948 |
difference | -0.0182666 |
Energy (hartrees) | |
---|---|
frozen core | -2076.2852706 |
correlated core | -2076.3034524 |
difference | -0.0181817 |
Energy (hartrees) | |
---|---|
frozen core | -2076.2852706 |
correlated core | -2076.3034948 |
difference | -0.0182242 |