III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -681.6422009 |
correlated core | -681.6646965 |
difference | -0.0224957 |
Energy (hartrees) | |
---|---|
frozen core | -681.6422009 |
correlated core | -681.6646965 |
difference | -0.0224957 |
Energy (hartrees) | |
---|---|
frozen core | -681.6422009 |
correlated core | -681.6646965 |
difference | -0.0224957 |
Energy (hartrees) | |
---|---|
frozen core | -681.6422009 |
correlated core | -681.6646965 |
difference | -0.0224957 |