III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -152.5452520 |
correlated core | -152.5498199 |
difference | -0.0045679 |
Energy (hartrees) | |
---|---|
frozen core | -152.5452515 |
correlated core | -152.5498199 |
difference | -0.0045685 |
Energy (hartrees) | |
---|---|
frozen core | -152.5452520 |
correlated core | -152.5498197 |
difference | -0.0045677 |
Energy (hartrees) | |
---|---|
frozen core | -152.5452515 |
correlated core | -152.5498197 |
difference | -0.0045683 |