III.G.10.a. |
Energy differences between frozen core and full core for MP4/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -225.3848042 |
correlated core | -225.4230033 |
difference | -0.0381991 |
Energy (hartrees) | |
---|---|
frozen core | -225.3836958 |
correlated core | -225.4230033 |
difference | -0.0393075 |
Energy (hartrees) | |
---|---|
frozen core | -225.3848042 |
correlated core | -225.4217639 |
difference | -0.0369597 |
Energy (hartrees) | |
---|---|
frozen core | -225.3836958 |
correlated core | -225.4217639 |
difference | -0.0380681 |
Energy (hartrees) | |
---|---|
frozen core | -225.3848044 |
correlated core | -225.4230032 |
difference | -0.0381988 |