III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -342.5883193 |
correlated core | -342.6106958 |
difference | -0.0223765 |
Energy (hartrees) | |
---|---|
frozen core | -342.5883193 |
correlated core | -342.6106958 |
difference | -0.0223765 |
Energy (hartrees) | |
---|---|
frozen core | -342.5883193 |
correlated core | -342.6106958 |
difference | -0.0223765 |
Energy (hartrees) | |
---|---|
frozen core | -342.5883193 |
correlated core | -342.6106958 |
difference | -0.0223765 |