III.G.10.a. |
Energy differences between frozen core and full core for MP3/daug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2666029 |
correlated core | -76.2689343 |
difference | -0.0023314 |
Energy (hartrees) | |
---|---|
frozen core | -76.2666029 |
correlated core | -76.2689343 |
difference | -0.0023314 |
Energy (hartrees) | |
---|---|
frozen core | -76.2666029 |
correlated core | -76.2689343 |
difference | -0.0023314 |
Energy (hartrees) | |
---|---|
frozen core | -76.2666029 |
correlated core | -76.2689343 |
difference | -0.0023314 |