III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -288.9702802 |
correlated core | -289.0126202 |
difference | -0.0423400 |
Energy (hartrees) | |
---|---|
frozen core | -288.9702802 |
correlated core | -289.0126202 |
difference | -0.0423400 |
Energy (hartrees) | |
---|---|
frozen core | -288.9702802 |
correlated core | -289.0126198 |
difference | -0.0423396 |
Energy (hartrees) | |
---|---|
frozen core | -288.9702802 |
correlated core | -289.0126198 |
difference | -0.0423396 |