III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pV(T+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -399.2816152 |
correlated core | -399.3113109 |
difference | -0.0296958 |
Energy (hartrees) | |
---|---|
frozen core | -399.2816148 |
correlated core | -399.3113109 |
difference | -0.0296961 |
Energy (hartrees) | |
---|---|
frozen core | -399.2816152 |
correlated core | -399.3113107 |
difference | -0.0296955 |
Energy (hartrees) | |
---|---|
frozen core | -399.2816148 |
correlated core | -399.3113107 |
difference | -0.0296959 |