III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -191.2754740 |
correlated core | -191.2822119 |
difference | -0.0067379 |
Energy (hartrees) | |
---|---|
frozen core | -191.2754739 |
correlated core | -191.2822119 |
difference | -0.0067380 |
Energy (hartrees) | |
---|---|
frozen core | -191.2754740 |
correlated core | -191.2822118 |
difference | -0.0067378 |
Energy (hartrees) | |
---|---|
frozen core | -191.2754739 |
correlated core | -191.2822118 |
difference | -0.0067379 |