III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -288.9643487 |
correlated core | -289.0189971 |
difference | -0.0546484 |
Energy (hartrees) | |
---|---|
frozen core | -288.9643487 |
correlated core | -288.9698429 |
difference | -0.0054942 |
Energy (hartrees) | |
---|---|
frozen core | -288.9643487 |
correlated core | -289.0189971 |
difference | -0.0546484 |
Energy (hartrees) | |
---|---|
frozen core | -288.9643487 |
correlated core | -288.9698429 |
difference | -0.0054942 |