III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -467.1960037 |
correlated core | -467.2053854 |
difference | -0.0093817 |
Energy (hartrees) | |
---|---|
frozen core | -467.1960035 |
correlated core | -467.2053854 |
difference | -0.0093819 |
Energy (hartrees) | |
---|---|
frozen core | -467.1960037 |
correlated core | -467.2053852 |
difference | -0.0093815 |
Energy (hartrees) | |
---|---|
frozen core | -467.1960035 |
correlated core | -467.2053852 |
difference | -0.0093817 |