III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -76.2197857 |
correlated core | -76.2224486 |
difference | -0.0026629 |
Energy (hartrees) | |
---|---|
frozen core | -76.2197858 |
correlated core | -76.2224486 |
difference | -0.0026629 |
Energy (hartrees) | |
---|---|
frozen core | -76.2197858 |
correlated core | -76.2224486 |
difference | -0.0026629 |
Energy (hartrees) | |
---|---|
frozen core | -76.2197857 |
correlated core | -76.2224487 |
difference | -0.0026629 |
Energy (hartrees) | |
---|---|
frozen core | -76.2197858 |
correlated core | -76.2224487 |
difference | -0.0026629 |
Energy (hartrees) | |
---|---|
frozen core | -76.2197858 |
correlated core | -76.2224487 |
difference | -0.0026629 |
Energy (hartrees) | |
---|---|
frozen core | -76.2197857 |
correlated core | -76.2224487 |
difference | -0.0026629 |
Energy (hartrees) | |
---|---|
frozen core | -76.2197858 |
correlated core | -76.2224487 |
difference | -0.0026629 |
Energy (hartrees) | |
---|---|
frozen core | -76.2197858 |
correlated core | -76.2224487 |
difference | -0.0026629 |