III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -498.8516438 |
correlated core | -498.9003604 |
difference | -0.0487166 |
Energy (hartrees) | |
---|---|
frozen core | -498.8516438 |
correlated core | -498.9003604 |
difference | -0.0487166 |
Energy (hartrees) | |
---|---|
frozen core | -498.8516438 |
correlated core | -498.9003604 |
difference | -0.0487166 |
Energy (hartrees) | |
---|---|
frozen core | -498.8516438 |
correlated core | -498.9003604 |
difference | -0.0487166 |
Energy (hartrees) | |
---|---|
frozen core | -498.8516423 |
correlated core | -498.9003603 |
difference | -0.0487180 |
Energy (hartrees) | |
---|---|
frozen core | -498.8516422 |
correlated core | -498.9003603 |
difference | -0.0487181 |