III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -92.7353996 |
correlated core | -92.7936209 |
difference | -0.0582213 |
Energy (hartrees) | |
---|---|
frozen core | -92.7353996 |
correlated core | -92.7936209 |
difference | -0.0582213 |
Energy (hartrees) | |
---|---|
frozen core | -92.7353996 |
correlated core | -92.7936209 |
difference | -0.0582213 |
Energy (hartrees) | |
---|---|
frozen core | -92.7353996 |
correlated core | -92.7936209 |
difference | -0.0582213 |