III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -139.8839282 |
correlated core | -139.8983102 |
difference | -0.0143820 |
Energy (hartrees) | |
---|---|
frozen core | -139.8839283 |
correlated core | -139.8983102 |
difference | -0.0143818 |
Energy (hartrees) | |
---|---|
frozen core | -139.8839282 |
correlated core | -139.8983109 |
difference | -0.0143828 |
Energy (hartrees) | |
---|---|
frozen core | -139.8839283 |
correlated core | -139.8983109 |
difference | -0.0143826 |