III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -1996.2395726 |
correlated core | -1996.2849061 |
difference | -0.0453335 |
Energy (hartrees) | |
---|---|
frozen core | -1996.2395724 |
correlated core | -1996.2849061 |
difference | -0.0453336 |
Energy (hartrees) | |
---|---|
frozen core | -1996.2395726 |
correlated core | -1996.2849061 |
difference | -0.0453336 |
Energy (hartrees) | |
---|---|
frozen core | -1996.2395724 |
correlated core | -1996.2849061 |
difference | -0.0453337 |