III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -99.6525916 |
correlated core | -99.6545523 |
difference | -0.0019607 |
Energy (hartrees) | |
---|---|
frozen core | -99.6525916 |
correlated core | -99.6545523 |
difference | -0.0019607 |
Energy (hartrees) | |
---|---|
frozen core | -99.6525916 |
correlated core | -99.6545523 |
difference | -0.0019606 |
Energy (hartrees) | |
---|---|
frozen core | -99.6525916 |
correlated core | -99.6545523 |
difference | -0.0019607 |