III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-311+G(3df,2p)
For ()Energy (hartrees) | |
---|---|
frozen core | -129.7212817 |
correlated core | -129.7673781 |
difference | -0.0460964 |
Energy (hartrees) | |
---|---|
frozen core | -129.7212817 |
correlated core | -129.7673781 |
difference | -0.0460964 |
Energy (hartrees) | |
---|---|
frozen core | -129.7212817 |
correlated core | -129.7673781 |
difference | -0.0460964 |
Energy (hartrees) | |
---|---|
frozen core | -129.7212817 |
correlated core | -129.7673781 |
difference | -0.0460964 |