III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -497.1585212 |
correlated core | -497.1715555 |
difference | -0.0130343 |
Energy (hartrees) | |
---|---|
frozen core | -497.1585212 |
correlated core | -497.1715555 |
difference | -0.0130343 |
Energy (hartrees) | |
---|---|
frozen core | -497.1585212 |
correlated core | -497.1715555 |
difference | -0.0130343 |
Energy (hartrees) | |
---|---|
frozen core | -497.1585212 |
correlated core | -497.1715555 |
difference | -0.0130343 |