III.G.10.a. |
Energy differences between frozen core and full core for MP3/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2355791 |
correlated core | -76.2376994 |
difference | -0.0021203 |
Energy (hartrees) | |
---|---|
frozen core | -76.2355791 |
correlated core | -76.2376994 |
difference | -0.0021203 |
Energy (hartrees) | |
---|---|
frozen core | -76.2355791 |
correlated core | -76.2376994 |
difference | -0.0021203 |
Energy (hartrees) | |
---|---|
frozen core | -76.2355791 |
correlated core | -76.2376994 |
difference | -0.0021203 |