III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3532835 |
correlated core | -76.3539541 |
difference | -0.0006706 |
Energy (hartrees) | |
---|---|
frozen core | -76.3532835 |
correlated core | -76.3539544 |
difference | -0.0006709 |
Energy (hartrees) | |
---|---|
frozen core | -76.3532838 |
correlated core | -76.3539541 |
difference | -0.0006703 |
Energy (hartrees) | |
---|---|
frozen core | -76.3532838 |
correlated core | -76.3539544 |
difference | -0.0006706 |