III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2075.2088938 |
correlated core | -2075.2613990 |
difference | -0.0525052 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2088938 |
correlated core | -2075.2613992 |
difference | -0.0525054 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2088938 |
correlated core | -2075.2613990 |
difference | -0.0525052 |
Energy (hartrees) | |
---|---|
frozen core | -2075.2088938 |
correlated core | -2075.2613992 |
difference | -0.0525054 |