III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -364.1950085 |
correlated core | -364.2636812 |
difference | -0.0686727 |
Energy (hartrees) | |
---|---|
frozen core | -364.1950085 |
correlated core | -364.2636812 |
difference | -0.0686727 |
Energy (hartrees) | |
---|---|
frozen core | -364.1950085 |
correlated core | -364.2636812 |
difference | -0.0686727 |
Energy (hartrees) | |
---|---|
frozen core | -364.1950085 |
correlated core | -364.2636812 |
difference | -0.0686727 |