III.G.10.a. |
Energy differences between frozen core and full core for CCSD/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.2022518 |
correlated core | -2075.3230637 |
difference | -0.1208119 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2022527 |
correlated core | -2075.3230637 |
difference | -0.1208110 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2022518 |
correlated core | -2075.3230646 |
difference | -0.1208128 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2022527 |
correlated core | -2075.3230646 |
difference | -0.1208119 |