III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -1923.3850902 |
correlated core | -1923.4277576 |
difference | -0.0426674 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3850902 |
correlated core | -1923.4277576 |
difference | -0.0426674 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3850902 |
correlated core | -1923.4277576 |
difference | -0.0426674 |
Energy (hartrees) | |
---|---|
frozen core | -1923.3850902 |
correlated core | -1923.4277576 |
difference | -0.0426674 |