III.G.10.a. |
Energy differences between frozen core and full core for MP4/daug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2756624 |
correlated core | -76.2779847 |
difference | -0.0023223 |
Energy (hartrees) | |
---|---|
frozen core | -76.2756621 |
correlated core | -76.2779847 |
difference | -0.0023225 |
Energy (hartrees) | |
---|---|
frozen core | -76.2756624 |
correlated core | -76.2779845 |
difference | -0.0023221 |
Energy (hartrees) | |
---|---|
frozen core | -76.2756621 |
correlated core | -76.2779845 |
difference | -0.0023223 |