III.G.10.a. |
Energy differences between frozen core and full core for CCSD/STO-3G
For ()Energy (hartrees) | |
---|---|
frozen core | -75.0230721 |
correlated core | -75.0231420 |
difference | -0.0000700 |
Energy (hartrees) | |
---|---|
frozen core | -75.0230721 |
correlated core | -75.0150352 |
difference | 0.0080368 |
Energy (hartrees) | |
---|---|
frozen core | -75.0149701 |
correlated core | -75.0231420 |
difference | -0.0081720 |
Energy (hartrees) | |
---|---|
frozen core | -75.0149701 |
correlated core | -75.0150352 |
difference | -0.0000652 |