III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G*
For ()Energy (hartrees) | |
---|---|
frozen core | -449.9578207 |
correlated core | -449.9722771 |
difference | -0.0144564 |
Energy (hartrees) | |
---|---|
frozen core | -449.9578207 |
correlated core | -449.9722771 |
difference | -0.0144564 |
Energy (hartrees) | |
---|---|
frozen core | -449.9578207 |
correlated core | -449.9722771 |
difference | -0.0144564 |
Energy (hartrees) | |
---|---|
frozen core | -449.9578207 |
correlated core | -449.9722771 |
difference | -0.0144564 |