III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -150.4544490 |
correlated core | -150.4545048 |
difference | -0.0000558 |
Energy (hartrees) | |
---|---|
frozen core | -150.4544491 |
correlated core | -150.4545048 |
difference | -0.0000557 |
Energy (hartrees) | |
---|---|
frozen core | -150.4544490 |
correlated core | -150.4545050 |
difference | -0.0000560 |
Energy (hartrees) | |
---|---|
frozen core | -150.4544491 |
correlated core | -150.4545050 |
difference | -0.0000559 |