III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.6871155 |
correlated core | -534.7325526 |
difference | -0.0454370 |
Energy (hartrees) | |
---|---|
frozen core | -534.6871155 |
correlated core | -534.7325526 |
difference | -0.0454370 |
Energy (hartrees) | |
---|---|
frozen core | -534.6871153 |
correlated core | -534.7325526 |
difference | -0.0454372 |
Energy (hartrees) | |
---|---|
frozen core | -534.6871154 |
correlated core | -534.7325526 |
difference | -0.0454372 |
Energy (hartrees) | |
---|---|
frozen core | -534.6871155 |
correlated core | -534.7325523 |
difference | -0.0454368 |
Energy (hartrees) | |
---|---|
frozen core | -534.6871155 |
correlated core | -534.7325523 |
difference | -0.0454368 |
Energy (hartrees) | |
---|---|
frozen core | -534.6871153 |
correlated core | -534.7325523 |
difference | -0.0454370 |
Energy (hartrees) | |
---|---|
frozen core | -534.6871154 |
correlated core | -534.7325523 |
difference | -0.0454370 |
Energy (hartrees) | |
---|---|
frozen core | -534.6871155 |
correlated core | -534.7325523 |
difference | -0.0454368 |
Energy (hartrees) | |
---|---|
frozen core | -534.6871155 |
correlated core | -534.7325523 |
difference | -0.0454368 |
Energy (hartrees) | |
---|---|
frozen core | -534.6871153 |
correlated core | -534.7325523 |
difference | -0.0454370 |
Energy (hartrees) | |
---|---|
frozen core | -534.6871154 |
correlated core | -534.7325523 |
difference | -0.0454370 |