III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -280.8248914 |
correlated core | -280.8404557 |
difference | -0.0155644 |
Energy (hartrees) | |
---|---|
frozen core | -280.8248914 |
correlated core | -280.8404557 |
difference | -0.0155644 |
Energy (hartrees) | |
---|---|
frozen core | -280.8248892 |
correlated core | -280.8404557 |
difference | -0.0155665 |