III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pV(Q+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -399.2906015 |
correlated core | -399.3273510 |
difference | -0.0367495 |
Energy (hartrees) | |
---|---|
frozen core | -399.2905998 |
correlated core | -399.3273510 |
difference | -0.0367512 |
Energy (hartrees) | |
---|---|
frozen core | -399.2906015 |
correlated core | -399.3273494 |
difference | -0.0367478 |
Energy (hartrees) | |
---|---|
frozen core | -399.2905998 |
correlated core | -399.3273494 |
difference | -0.0367496 |