III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -75.2194063 |
correlated core | -75.2194339 |
difference | -0.0000276 |
Energy (hartrees) | |
---|---|
frozen core | -75.2194063 |
correlated core | -75.2194348 |
difference | -0.0000286 |
Energy (hartrees) | |
---|---|
frozen core | -75.2194072 |
correlated core | -75.2194339 |
difference | -0.0000267 |
Energy (hartrees) | |
---|---|
frozen core | -75.2194072 |
correlated core | -75.2194348 |
difference | -0.0000276 |