III.G.10.a. |
Energy differences between frozen core and full core for MP3/daug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.3321231 |
correlated core | -76.3476036 |
difference | -0.0154805 |
Energy (hartrees) | |
---|---|
frozen core | -76.3321231 |
correlated core | -76.3476036 |
difference | -0.0154805 |
Energy (hartrees) | |
---|---|
frozen core | -76.3321231 |
correlated core | -76.3476036 |
difference | -0.0154805 |
Energy (hartrees) | |
---|---|
frozen core | -76.3321231 |
correlated core | -76.3476036 |
difference | -0.0154805 |