III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pV(T+d)Z
For ()Energy (hartrees) | |
---|---|
frozen core | -534.7385038 |
correlated core | -534.8528277 |
difference | -0.1143239 |
Energy (hartrees) | |
---|---|
frozen core | -534.7385036 |
correlated core | -534.8528277 |
difference | -0.1143241 |
Energy (hartrees) | |
---|---|
frozen core | -534.7385038 |
correlated core | -534.8528274 |
difference | -0.1143236 |
Energy (hartrees) | |
---|---|
frozen core | -534.7385036 |
correlated core | -534.8528274 |
difference | -0.1143238 |