III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -459.6895916 |
correlated core | -459.6947101 |
difference | -0.0051184 |
Energy (hartrees) | |
---|---|
frozen core | -459.6895916 |
correlated core | -459.6947040 |
difference | -0.0051124 |
Energy (hartrees) | |
---|---|
frozen core | -459.6895856 |
correlated core | -459.6947101 |
difference | -0.0051245 |
Energy (hartrees) | |
---|---|
frozen core | -459.6895856 |
correlated core | -459.6947040 |
difference | -0.0051184 |