III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pCVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.6964835 |
correlated core | -535.0865397 |
difference | -0.3900562 |
Energy (hartrees) | |
---|---|
frozen core | -534.6964835 |
correlated core | -535.0865397 |
difference | -0.3900562 |
Energy (hartrees) | |
---|---|
frozen core | -534.6964834 |
correlated core | -535.0865397 |
difference | -0.3900563 |
Energy (hartrees) | |
---|---|
frozen core | -534.6964835 |
correlated core | -535.0865397 |
difference | -0.3900562 |
Energy (hartrees) | |
---|---|
frozen core | -534.6964835 |
correlated core | -535.0865397 |
difference | -0.3900562 |
Energy (hartrees) | |
---|---|
frozen core | -534.6964834 |
correlated core | -535.0865397 |
difference | -0.3900563 |
Energy (hartrees) | |
---|---|
frozen core | -534.6964835 |
correlated core | -535.0865396 |
difference | -0.3900561 |
Energy (hartrees) | |
---|---|
frozen core | -534.6964835 |
correlated core | -535.0865396 |
difference | -0.3900561 |
Energy (hartrees) | |
---|---|
frozen core | -534.6964834 |
correlated core | -535.0865396 |
difference | -0.3900563 |