III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -290.4303591 |
correlated core | -290.4370428 |
difference | -0.0066837 |
Energy (hartrees) | |
---|---|
frozen core | -290.4303591 |
correlated core | -290.4370427 |
difference | -0.0066836 |
Energy (hartrees) | |
---|---|
frozen core | -290.4303590 |
correlated core | -290.4370428 |
difference | -0.0066838 |
Energy (hartrees) | |
---|---|
frozen core | -290.4303590 |
correlated core | -290.4370427 |
difference | -0.0066837 |