III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -26.0813551 |
correlated core | -26.0980595 |
difference | -0.0167044 |
Energy (hartrees) | |
---|---|
frozen core | -26.0813551 |
correlated core | -26.0980594 |
difference | -0.0167043 |
Energy (hartrees) | |
---|---|
frozen core | -26.0813553 |
correlated core | -26.0980595 |
difference | -0.0167042 |
Energy (hartrees) | |
---|---|
frozen core | -26.0813553 |
correlated core | -26.0980594 |
difference | -0.0167041 |
Energy (hartrees) | |
---|---|
frozen core | -26.0762405 |
correlated core | -26.0928496 |
difference | -0.0166090 |