III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -152.6582587 |
correlated core | -152.6814459 |
difference | -0.0231872 |
Energy (hartrees) | |
---|---|
frozen core | -152.6612337 |
correlated core | -152.6814459 |
difference | -0.0202121 |
Energy (hartrees) | |
---|---|
frozen core | -152.6582587 |
correlated core | -152.6814459 |
difference | -0.0231872 |
Energy (hartrees) | |
---|---|
frozen core | -152.6612337 |
correlated core | -152.6814459 |
difference | -0.0202121 |
Energy (hartrees) | |
---|---|
frozen core | -152.6582587 |
correlated core | -152.6814459 |
difference | -0.0231872 |