III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1998.4665049 |
correlated core | -1998.5271830 |
difference | -0.0606782 |
Energy (hartrees) | |
---|---|
frozen core | -1998.4665048 |
correlated core | -1998.5271830 |
difference | -0.0606782 |
Energy (hartrees) | |
---|---|
frozen core | -1998.4665049 |
correlated core | -1998.5271831 |
difference | -0.0606782 |
Energy (hartrees) | |
---|---|
frozen core | -1998.4665048 |
correlated core | -1998.5271831 |
difference | -0.0606783 |