III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1998.4806769 |
correlated core | -1998.5460276 |
difference | -0.0653507 |
Energy (hartrees) | |
---|---|
frozen core | -1998.4806770 |
correlated core | -1998.5460276 |
difference | -0.0653507 |
Energy (hartrees) | |
---|---|
frozen core | -1998.4806769 |
correlated core | -1998.5460276 |
difference | -0.0653507 |
Energy (hartrees) | |
---|---|
frozen core | -1998.4806770 |
correlated core | -1998.5460276 |
difference | -0.0653507 |