III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -129.5799396 |
correlated core | -129.5850476 |
difference | -0.0051080 |
Energy (hartrees) | |
---|---|
frozen core | -129.5799396 |
correlated core | -129.5850476 |
difference | -0.0051080 |
Energy (hartrees) | |
---|---|
frozen core | -129.5799396 |
correlated core | -129.5850477 |
difference | -0.0051081 |
Energy (hartrees) | |
---|---|
frozen core | -129.5799394 |
correlated core | -129.5850476 |
difference | -0.0051082 |
Energy (hartrees) | |
---|---|
frozen core | -129.5799394 |
correlated core | -129.5850476 |
difference | -0.0051082 |
Energy (hartrees) | |
---|---|
frozen core | -129.5799394 |
correlated core | -129.5850477 |
difference | -0.0051082 |
Energy (hartrees) | |
---|---|
frozen core | -129.5799395 |
correlated core | -129.5850476 |
difference | -0.0051081 |
Energy (hartrees) | |
---|---|
frozen core | -129.5799395 |
correlated core | -129.5850476 |
difference | -0.0051081 |
Energy (hartrees) | |
---|---|
frozen core | -129.5799395 |
correlated core | -129.5850477 |
difference | -0.0051082 |