III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -77.1172717 |
correlated core | -77.1510020 |
difference | -0.0337302 |
Energy (hartrees) | |
---|---|
frozen core | -77.1172717 |
correlated core | -77.1510020 |
difference | -0.0337303 |
Energy (hartrees) | |
---|---|
frozen core | -77.1172717 |
correlated core | -77.1510020 |
difference | -0.0337302 |
Energy (hartrees) | |
---|---|
frozen core | -77.1172717 |
correlated core | -77.1510020 |
difference | -0.0337303 |