III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -37.7807623 |
correlated core | -37.7895271 |
difference | -0.0087648 |
Energy (hartrees) | |
---|---|
frozen core | -37.7807623 |
correlated core | -37.7895271 |
difference | -0.0087648 |
Energy (hartrees) | |
---|---|
frozen core | -37.7807623 |
correlated core | -37.7895271 |
difference | -0.0087648 |
Energy (hartrees) | |
---|---|
frozen core | -37.7807706 |
correlated core | -37.7895271 |
difference | -0.0087566 |
Energy (hartrees) | |
---|---|
frozen core | -37.7807706 |
correlated core | -37.7895271 |
difference | -0.0087566 |
Energy (hartrees) | |
---|---|
frozen core | -37.7807706 |
correlated core | -37.7895271 |
difference | -0.0087565 |
Energy (hartrees) | |
---|---|
frozen core | -37.7807623 |
correlated core | -37.7895271 |
difference | -0.0087648 |
Energy (hartrees) | |
---|---|
frozen core | -37.7807623 |
correlated core | -37.7895271 |
difference | -0.0087648 |
Energy (hartrees) | |
---|---|
frozen core | -37.7807623 |
correlated core | -37.7895271 |
difference | -0.0087648 |