III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -288.9518280 |
correlated core | -289.0052193 |
difference | -0.0533913 |
Energy (hartrees) | |
---|---|
frozen core | -288.9518280 |
correlated core | -289.0052193 |
difference | -0.0533913 |
Energy (hartrees) | |
---|---|
frozen core | -288.9518280 |
correlated core | -289.0052193 |
difference | -0.0533913 |
Energy (hartrees) | |
---|---|
frozen core | -288.9518280 |
correlated core | -289.0052193 |
difference | -0.0533913 |