III.G.10.a. |
Energy differences between frozen core and full core for B2PLYP/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -109.5021619 |
correlated core | -109.5108211 |
difference | -0.0086592 |
Energy (hartrees) | |
---|---|
frozen core | -109.5021619 |
correlated core | -109.5108209 |
difference | -0.0086590 |
Energy (hartrees) | |
---|---|
frozen core | -109.5021619 |
correlated core | -109.5108211 |
difference | -0.0086592 |
Energy (hartrees) | |
---|---|
frozen core | -109.5021619 |
correlated core | -109.5108209 |
difference | -0.0086590 |
Energy (hartrees) | |
---|---|
frozen core | -109.5021617 |
correlated core | -109.5108211 |
difference | -0.0086594 |
Energy (hartrees) | |
---|---|
frozen core | -109.5021617 |
correlated core | -109.5108209 |
difference | -0.0086592 |