III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-311G**
For ()Energy (hartrees) | |
---|---|
frozen core | -498.7612316 |
correlated core | -498.8287727 |
difference | -0.0675411 |
Energy (hartrees) | |
---|---|
frozen core | -498.7612316 |
correlated core | -498.8287727 |
difference | -0.0675411 |
Energy (hartrees) | |
---|---|
frozen core | -498.7612316 |
correlated core | -498.8287727 |
difference | -0.0675411 |
Energy (hartrees) | |
---|---|
frozen core | -498.7612316 |
correlated core | -498.8287727 |
difference | -0.0675411 |
Energy (hartrees) | |
---|---|
frozen core | -498.7612033 |
correlated core | -498.8287542 |
difference | -0.0675509 |