III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -326.8237710 |
correlated core | -326.8936739 |
difference | -0.0699029 |
Energy (hartrees) | |
---|---|
frozen core | -326.8237708 |
correlated core | -326.8936739 |
difference | -0.0699031 |
Energy (hartrees) | |
---|---|
frozen core | -326.8237710 |
correlated core | -326.8936733 |
difference | -0.0699024 |
Energy (hartrees) | |
---|---|
frozen core | -326.8237708 |
correlated core | -326.8936733 |
difference | -0.0699026 |