III.G.10.a. |
Energy differences between frozen core and full core for MP2/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -76.0038926 |
correlated core | -76.0046592 |
difference | -0.0007666 |
Energy (hartrees) | |
---|---|
frozen core | -76.0038926 |
correlated core | -76.0046592 |
difference | -0.0007665 |
Energy (hartrees) | |
---|---|
frozen core | -76.0038926 |
correlated core | -76.0046592 |
difference | -0.0007666 |
Energy (hartrees) | |
---|---|
frozen core | -76.0038926 |
correlated core | -76.0046592 |
difference | -0.0007666 |