III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -2066.1893785 |
correlated core | -2066.1903810 |
difference | -0.0010025 |
Energy (hartrees) | |
---|---|
frozen core | -2066.1893785 |
correlated core | -2066.1903825 |
difference | -0.0010040 |
Energy (hartrees) | |
---|---|
frozen core | -2066.1893799 |
correlated core | -2066.1903810 |
difference | -0.0010011 |
Energy (hartrees) | |
---|---|
frozen core | -2066.1893799 |
correlated core | -2066.1903825 |
difference | -0.0010025 |