III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -129.6034924 |
correlated core | -129.6787638 |
difference | -0.0752714 |
Energy (hartrees) | |
---|---|
frozen core | -129.6034924 |
correlated core | -129.6787638 |
difference | -0.0752714 |
Energy (hartrees) | |
---|---|
frozen core | -129.6034925 |
correlated core | -129.6787638 |
difference | -0.0752713 |
Energy (hartrees) | |
---|---|
frozen core | -129.6034924 |
correlated core | -129.6787638 |
difference | -0.0752714 |
Energy (hartrees) | |
---|---|
frozen core | -129.6034924 |
correlated core | -129.6787638 |
difference | -0.0752714 |
Energy (hartrees) | |
---|---|
frozen core | -129.6034925 |
correlated core | -129.6787638 |
difference | -0.0752713 |
Energy (hartrees) | |
---|---|
frozen core | -129.6034924 |
correlated core | -129.6787638 |
difference | -0.0752714 |
Energy (hartrees) | |
---|---|
frozen core | -129.6034924 |
correlated core | -129.6787638 |
difference | -0.0752714 |
Energy (hartrees) | |
---|---|
frozen core | -129.6034925 |
correlated core | -129.6787638 |
difference | -0.0752714 |