III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -77.0667935 |
correlated core | -77.0762154 |
difference | -0.0094219 |
Energy (hartrees) | |
---|---|
frozen core | -77.0667935 |
correlated core | -77.0762155 |
difference | -0.0094220 |
Energy (hartrees) | |
---|---|
frozen core | -77.0667933 |
correlated core | -77.0762154 |
difference | -0.0094221 |
Energy (hartrees) | |
---|---|
frozen core | -77.0667933 |
correlated core | -77.0762155 |
difference | -0.0094221 |
Energy (hartrees) | |
---|---|
frozen core | -77.0667935 |
correlated core | -77.0762154 |
difference | -0.0094219 |
Energy (hartrees) | |
---|---|
frozen core | -77.0667935 |
correlated core | -77.0762155 |
difference | -0.0094220 |