III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -288.9657528 |
correlated core | -289.0078462 |
difference | -0.0420934 |
Energy (hartrees) | |
---|---|
frozen core | -288.9657528 |
correlated core | -289.0078462 |
difference | -0.0420935 |
Energy (hartrees) | |
---|---|
frozen core | -288.9657528 |
correlated core | -289.0078458 |
difference | -0.0420930 |
Energy (hartrees) | |
---|---|
frozen core | -288.9657528 |
correlated core | -289.0078458 |
difference | -0.0420930 |