III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -388.8090078 |
correlated core | -388.8828158 |
difference | -0.0738080 |
Energy (hartrees) | |
---|---|
frozen core | -388.8090077 |
correlated core | -388.8828158 |
difference | -0.0738080 |
Energy (hartrees) | |
---|---|
frozen core | -388.8090078 |
correlated core | -388.8828153 |
difference | -0.0738075 |
Energy (hartrees) | |
---|---|
frozen core | -388.8090077 |
correlated core | -388.8828153 |
difference | -0.0738075 |