III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -77.1834731 |
correlated core | -77.2385904 |
difference | -0.0551173 |
Energy (hartrees) | |
---|---|
frozen core | -77.1834731 |
correlated core | -77.2385904 |
difference | -0.0551173 |
Energy (hartrees) | |
---|---|
frozen core | -77.1834727 |
correlated core | -77.2385904 |
difference | -0.0551177 |
Energy (hartrees) | |
---|---|
frozen core | -77.1834727 |
correlated core | -77.2385904 |
difference | -0.0551177 |