III.G.10.a. |
Energy differences between frozen core and full core for CCSD(T)/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -398.9392279 |
correlated core | -399.2708736 |
difference | -0.3316457 |
Energy (hartrees) | |
---|---|
frozen core | -398.9392279 |
correlated core | -399.2708736 |
difference | -0.3316457 |
Energy (hartrees) | |
---|---|
frozen core | -398.9392278 |
correlated core | -399.2708736 |
difference | -0.3316458 |
Energy (hartrees) | |
---|---|
frozen core | -398.9392279 |
correlated core | -399.2708736 |
difference | -0.3316457 |
Energy (hartrees) | |
---|---|
frozen core | -398.9392279 |
correlated core | -399.2708736 |
difference | -0.3316457 |
Energy (hartrees) | |
---|---|
frozen core | -398.9392278 |
correlated core | -399.2708736 |
difference | -0.3316458 |
Energy (hartrees) | |
---|---|
frozen core | -398.9392279 |
correlated core | -399.2708734 |
difference | -0.3316455 |
Energy (hartrees) | |
---|---|
frozen core | -398.9392279 |
correlated core | -399.2708734 |
difference | -0.3316455 |
Energy (hartrees) | |
---|---|
frozen core | -398.9392278 |
correlated core | -399.2708734 |
difference | -0.3316457 |