III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -681.6938186 |
correlated core | -681.7073238 |
difference | -0.0135053 |
Energy (hartrees) | |
---|---|
frozen core | -681.6938186 |
correlated core | -681.7073238 |
difference | -0.0135053 |
Energy (hartrees) | |
---|---|
frozen core | -681.6938186 |
correlated core | -681.7073238 |
difference | -0.0135053 |
Energy (hartrees) | |
---|---|
frozen core | -681.6938186 |
correlated core | -681.7073238 |
difference | -0.0135053 |