III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9275446 |
correlated core | -398.9620492 |
difference | -0.0345046 |
Energy (hartrees) | |
---|---|
frozen core | -398.9275446 |
correlated core | -398.9620492 |
difference | -0.0345046 |
Energy (hartrees) | |
---|---|
frozen core | -398.9275446 |
correlated core | -398.9620492 |
difference | -0.0345047 |