III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pV(T+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9301914 |
correlated core | -399.0291523 |
difference | -0.0989608 |
Energy (hartrees) | |
---|---|
frozen core | -398.9301914 |
correlated core | -399.0291523 |
difference | -0.0989608 |
Energy (hartrees) | |
---|---|
frozen core | -398.9301914 |
correlated core | -399.0291523 |
difference | -0.0989608 |
Energy (hartrees) | |
---|---|
frozen core | -398.9301914 |
correlated core | -399.0291523 |
difference | -0.0989608 |