III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -90.3176491 |
correlated core | -90.3253758 |
difference | -0.0077266 |
Energy (hartrees) | |
---|---|
frozen core | -90.3176491 |
correlated core | -90.3253758 |
difference | -0.0077266 |
Energy (hartrees) | |
---|---|
frozen core | -90.3176492 |
correlated core | -90.3253758 |
difference | -0.0077266 |
Energy (hartrees) | |
---|---|
frozen core | -90.3176492 |
correlated core | -90.3253758 |
difference | -0.0077266 |
Energy (hartrees) | |
---|---|
frozen core | -90.3176491 |
correlated core | -90.3253758 |
difference | -0.0077266 |
Energy (hartrees) | |
---|---|
frozen core | -90.3176491 |
correlated core | -90.3253758 |
difference | -0.0077266 |
Energy (hartrees) | |
---|---|
frozen core | -90.3176492 |
correlated core | -90.3253758 |
difference | -0.0077266 |
Energy (hartrees) | |
---|---|
frozen core | -90.3176492 |
correlated core | -90.3253758 |
difference | -0.0077266 |
Energy (hartrees) | |
---|---|
frozen core | -90.3176081 |
correlated core | -90.3253758 |
difference | -0.0077676 |