III.G.10.a. |
Energy differences between frozen core and full core for MP2/3-21G
For ()Energy (hartrees) | |
---|---|
frozen core | -78.9820549 |
correlated core | -78.9852871 |
difference | -0.0032322 |
Energy (hartrees) | |
---|---|
frozen core | -78.9820549 |
correlated core | -78.9852871 |
difference | -0.0032322 |
Energy (hartrees) | |
---|---|
frozen core | -78.9820549 |
correlated core | -78.9852871 |
difference | -0.0032322 |
Energy (hartrees) | |
---|---|
frozen core | -78.9820549 |
correlated core | -78.9852871 |
difference | -0.0032322 |
Energy (hartrees) | |
---|---|
frozen core | -78.9820549 |
correlated core | -78.9852871 |
difference | -0.0032322 |
Energy (hartrees) | |
---|---|
frozen core | -78.9820549 |
correlated core | -78.9852871 |
difference | -0.0032322 |
Energy (hartrees) | |
---|---|
frozen core | -78.9820549 |
correlated core | -78.9852871 |
difference | -0.0032322 |
Energy (hartrees) | |
---|---|
frozen core | -78.9820549 |
correlated core | -78.9852871 |
difference | -0.0032322 |
Energy (hartrees) | |
---|---|
frozen core | -78.9820549 |
correlated core | -78.9852871 |
difference | -0.0032322 |
Energy (hartrees) | |
---|---|
frozen core | -78.9772590 |
correlated core | -78.9804904 |
difference | -0.0032314 |