III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -83.1666668 |
correlated core | -83.1769845 |
difference | -0.0103176 |
Energy (hartrees) | |
---|---|
frozen core | -83.1666663 |
correlated core | -83.1769845 |
difference | -0.0103182 |
Energy (hartrees) | |
---|---|
frozen core | -83.1666668 |
correlated core | -83.1769840 |
difference | -0.0103171 |
Energy (hartrees) | |
---|---|
frozen core | -83.1666663 |
correlated core | -83.1769840 |
difference | -0.0103177 |