III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -39.8026839 |
correlated core | -39.8074735 |
difference | -0.0047896 |
Energy (hartrees) | |
---|---|
frozen core | -39.8026839 |
correlated core | -39.8074736 |
difference | -0.0047897 |
Energy (hartrees) | |
---|---|
frozen core | -39.8026840 |
correlated core | -39.8074735 |
difference | -0.0047895 |
Energy (hartrees) | |
---|---|
frozen core | -39.8026840 |
correlated core | -39.8074736 |
difference | -0.0047896 |