III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -681.8121077 |
correlated core | -682.4655442 |
difference | -0.6534365 |
Energy (hartrees) | |
---|---|
frozen core | -681.8121077 |
correlated core | -682.4655442 |
difference | -0.6534365 |
Energy (hartrees) | |
---|---|
frozen core | -681.8121077 |
correlated core | -682.4655442 |
difference | -0.6534365 |
Energy (hartrees) | |
---|---|
frozen core | -681.8121077 |
correlated core | -682.4655442 |
difference | -0.6534365 |