III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pV(T+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -534.6905109 |
correlated core | -534.8069480 |
difference | -0.1164371 |
Energy (hartrees) | |
---|---|
frozen core | -534.6905107 |
correlated core | -534.8069480 |
difference | -0.1164373 |
Energy (hartrees) | |
---|---|
frozen core | -534.6905109 |
correlated core | -534.8069478 |
difference | -0.1164369 |
Energy (hartrees) | |
---|---|
frozen core | -534.6905107 |
correlated core | -534.8069478 |
difference | -0.1164371 |