III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -75.0060402 |
correlated core | -75.0061363 |
difference | -0.0000961 |
Energy (hartrees) | |
---|---|
frozen core | -75.0060402 |
correlated core | -75.0061363 |
difference | -0.0000961 |
Energy (hartrees) | |
---|---|
frozen core | -75.0060403 |
correlated core | -75.0061363 |
difference | -0.0000960 |
Energy (hartrees) | |
---|---|
frozen core | -75.0060403 |
correlated core | -75.0061363 |
difference | -0.0000960 |