III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pV(T+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -460.5631723 |
correlated core | -460.6668172 |
difference | -0.1036449 |
Energy (hartrees) | |
---|---|
frozen core | -460.5631720 |
correlated core | -460.6668172 |
difference | -0.1036452 |
Energy (hartrees) | |
---|---|
frozen core | -460.5631723 |
correlated core | -460.6668168 |
difference | -0.1036445 |
Energy (hartrees) | |
---|---|
frozen core | -460.5631720 |
correlated core | -460.6668168 |
difference | -0.1036448 |