III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.6168669 |
correlated core | -534.6253810 |
difference | -0.0085141 |
Energy (hartrees) | |
---|---|
frozen core | -534.6168669 |
correlated core | -534.6253810 |
difference | -0.0085141 |
Energy (hartrees) | |
---|---|
frozen core | -534.6168667 |
correlated core | -534.6253810 |
difference | -0.0085143 |