III.G.10.a. |
Energy differences between frozen core and full core for CCSD/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.2624542 |
correlated core | -2075.3267305 |
difference | -0.0642763 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2624552 |
correlated core | -2075.3267305 |
difference | -0.0642753 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2624542 |
correlated core | -2075.3267316 |
difference | -0.0642774 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2624552 |
correlated core | -2075.3267316 |
difference | -0.0642764 |