III.G.10.a. |
Energy differences between frozen core and full core for MP3/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2792754 |
correlated core | -76.2968241 |
difference | -0.0175488 |
Energy (hartrees) | |
---|---|
frozen core | -76.2792752 |
correlated core | -76.2968241 |
difference | -0.0175489 |
Energy (hartrees) | |
---|---|
frozen core | -76.2792754 |
correlated core | -76.2968239 |
difference | -0.0175485 |
Energy (hartrees) | |
---|---|
frozen core | -76.2792752 |
correlated core | -76.2968239 |
difference | -0.0175487 |