III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -398.7717004 |
correlated core | -398.7765536 |
difference | -0.0048532 |
Energy (hartrees) | |
---|---|
frozen core | -398.7717004 |
correlated core | -398.7765536 |
difference | -0.0048531 |
Energy (hartrees) | |
---|---|
frozen core | -398.7717004 |
correlated core | -398.7765536 |
difference | -0.0048532 |
Energy (hartrees) | |
---|---|
frozen core | -398.7717004 |
correlated core | -398.7765536 |
difference | -0.0048531 |
Energy (hartrees) | |
---|---|
frozen core | -398.7717004 |
correlated core | -398.7765526 |
difference | -0.0048522 |
Energy (hartrees) | |
---|---|
frozen core | -398.7717004 |
correlated core | -398.7765526 |
difference | -0.0048522 |
Energy (hartrees) | |
---|---|
frozen core | -398.7717004 |
correlated core | -398.7765536 |
difference | -0.0048531 |
Energy (hartrees) | |
---|---|
frozen core | -398.7717004 |
correlated core | -398.7765536 |
difference | -0.0048531 |