III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -291.4402548 |
correlated core | -291.7626536 |
difference | -0.3223988 |
Energy (hartrees) | |
---|---|
frozen core | -291.4402548 |
correlated core | -291.7626536 |
difference | -0.3223988 |
Energy (hartrees) | |
---|---|
frozen core | -291.4402548 |
correlated core | -291.7626535 |
difference | -0.3223987 |
Energy (hartrees) | |
---|---|
frozen core | -291.4402548 |
correlated core | -291.7626535 |
difference | -0.3223988 |