III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -795.4156752 |
correlated core | -796.0766243 |
difference | -0.6609491 |
Energy (hartrees) | |
---|---|
frozen core | -795.4156752 |
correlated core | -796.0766243 |
difference | -0.6609491 |
Energy (hartrees) | |
---|---|
frozen core | -795.4156752 |
correlated core | -796.0766243 |
difference | -0.6609491 |
Energy (hartrees) | |
---|---|
frozen core | -795.4156752 |
correlated core | -796.0766243 |
difference | -0.6609491 |