III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -338.1855413 |
correlated core | -338.2010424 |
difference | -0.0155011 |
Energy (hartrees) | |
---|---|
frozen core | -338.1855413 |
correlated core | -338.2010424 |
difference | -0.0155011 |
Energy (hartrees) | |
---|---|
frozen core | -338.1855385 |
correlated core | -338.2010424 |
difference | -0.0155039 |