III.G.10.a. |
Energy differences between frozen core and full core for CCSD/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -107.6714436 |
correlated core | -107.6717018 |
difference | -0.0002581 |
Energy (hartrees) | |
---|---|
frozen core | -107.6714436 |
correlated core | -107.6501978 |
difference | 0.0212458 |
Energy (hartrees) | |
---|---|
frozen core | -107.6499037 |
correlated core | -107.6717018 |
difference | -0.0217980 |
Energy (hartrees) | |
---|---|
frozen core | -107.6499037 |
correlated core | -107.6501978 |
difference | -0.0002941 |