III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -288.9110283 |
correlated core | -288.8567159 |
difference | 0.0543124 |
Energy (hartrees) | |
---|---|
frozen core | -288.9110283 |
correlated core | -288.8567159 |
difference | 0.0543124 |
Energy (hartrees) | |
---|---|
frozen core | -288.9110283 |
correlated core | -288.9207456 |
difference | -0.0097172 |
Energy (hartrees) | |
---|---|
frozen core | -288.9110283 |
correlated core | -288.9207456 |
difference | -0.0097172 |