III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -364.2120730 |
correlated core | -364.2862621 |
difference | -0.0741891 |
Energy (hartrees) | |
---|---|
frozen core | -364.2120727 |
correlated core | -364.2862621 |
difference | -0.0741894 |
Energy (hartrees) | |
---|---|
frozen core | -364.2120730 |
correlated core | -364.2862615 |
difference | -0.0741885 |
Energy (hartrees) | |
---|---|
frozen core | -364.2120727 |
correlated core | -364.2862615 |
difference | -0.0741888 |