III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G**
For ()Energy (hartrees) | |
---|---|
frozen core | -2072.9526009 |
correlated core | -2072.9800417 |
difference | -0.0274408 |
Energy (hartrees) | |
---|---|
frozen core | -2072.9526009 |
correlated core | -2072.9800417 |
difference | -0.0274408 |
Energy (hartrees) | |
---|---|
frozen core | -2072.9526009 |
correlated core | -2072.9800417 |
difference | -0.0274408 |
Energy (hartrees) | |
---|---|
frozen core | -2072.9526009 |
correlated core | -2072.9800417 |
difference | -0.0274408 |