III.G.10.a. |
Energy differences between frozen core and full core for CCSD/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2686331 |
correlated core | -76.2708591 |
difference | -0.0022260 |
Energy (hartrees) | |
---|---|
frozen core | -76.2686331 |
correlated core | -76.2505991 |
difference | 0.0180340 |
Energy (hartrees) | |
---|---|
frozen core | -76.2686331 |
correlated core | -76.2708592 |
difference | -0.0022260 |
Energy (hartrees) | |
---|---|
frozen core | -76.2686331 |
correlated core | -76.2708591 |
difference | -0.0022260 |
Energy (hartrees) | |
---|---|
frozen core | -76.2686331 |
correlated core | -76.2505991 |
difference | 0.0180340 |
Energy (hartrees) | |
---|---|
frozen core | -76.2686331 |
correlated core | -76.2708592 |
difference | -0.0022260 |
Energy (hartrees) | |
---|---|
frozen core | -76.2686331 |
correlated core | -76.2708591 |
difference | -0.0022260 |
Energy (hartrees) | |
---|---|
frozen core | -76.2686331 |
correlated core | -76.2505991 |
difference | 0.0180340 |
Energy (hartrees) | |
---|---|
frozen core | -76.2686331 |
correlated core | -76.2708592 |
difference | -0.0022260 |