III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.1933772 |
correlated core | -2075.3326358 |
difference | -0.1392586 |
Energy (hartrees) | |
---|---|
frozen core | -2075.1933772 |
correlated core | -2075.3326358 |
difference | -0.1392586 |
Energy (hartrees) | |
---|---|
frozen core | -2075.1933772 |
correlated core | -2075.3326358 |
difference | -0.1392586 |
Energy (hartrees) | |
---|---|
frozen core | -2075.1933772 |
correlated core | -2075.3326358 |
difference | -0.1392586 |