III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -534.5398550 |
correlated core | -534.5478361 |
difference | -0.0079810 |
Energy (hartrees) | |
---|---|
frozen core | -534.5398550 |
correlated core | -534.5478361 |
difference | -0.0079810 |
Energy (hartrees) | |
---|---|
frozen core | -534.5398549 |
correlated core | -534.5478361 |
difference | -0.0079812 |
Energy (hartrees) | |
---|---|
frozen core | -534.5398550 |
correlated core | -534.5478361 |
difference | -0.0079810 |
Energy (hartrees) | |
---|---|
frozen core | -534.5398550 |
correlated core | -534.5478361 |
difference | -0.0079810 |
Energy (hartrees) | |
---|---|
frozen core | -534.5398549 |
correlated core | -534.5478361 |
difference | -0.0079812 |
Energy (hartrees) | |
---|---|
frozen core | -534.5398550 |
correlated core | -534.5478358 |
difference | -0.0079808 |
Energy (hartrees) | |
---|---|
frozen core | -534.5398550 |
correlated core | -534.5478358 |
difference | -0.0079808 |
Energy (hartrees) | |
---|---|
frozen core | -534.5398549 |
correlated core | -534.5478358 |
difference | -0.0079809 |