III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.7343554 |
correlated core | -534.7785023 |
difference | -0.0441470 |
Energy (hartrees) | |
---|---|
frozen core | -534.7343554 |
correlated core | -534.7785023 |
difference | -0.0441470 |
Energy (hartrees) | |
---|---|
frozen core | -534.7343552 |
correlated core | -534.7785023 |
difference | -0.0441471 |
Energy (hartrees) | |
---|---|
frozen core | -534.7343554 |
correlated core | -534.7785023 |
difference | -0.0441470 |
Energy (hartrees) | |
---|---|
frozen core | -534.7343554 |
correlated core | -534.7785023 |
difference | -0.0441470 |
Energy (hartrees) | |
---|---|
frozen core | -534.7343552 |
correlated core | -534.7785023 |
difference | -0.0441471 |
Energy (hartrees) | |
---|---|
frozen core | -534.7343554 |
correlated core | -534.7785021 |
difference | -0.0441467 |
Energy (hartrees) | |
---|---|
frozen core | -534.7343554 |
correlated core | -534.7785021 |
difference | -0.0441467 |
Energy (hartrees) | |
---|---|
frozen core | -534.7343552 |
correlated core | -534.7785021 |
difference | -0.0441468 |