III.G.10.a. |
Energy differences between frozen core and full core for MP3/6-31+G**
For ()Energy (hartrees) | |
---|---|
frozen core | -3527.8251517 |
correlated core | -3527.8995257 |
difference | -0.0743740 |
Energy (hartrees) | |
---|---|
frozen core | -3527.8484323 |
correlated core | -3527.8995257 |
difference | -0.0510934 |
Energy (hartrees) | |
---|---|
frozen core | -3527.8251517 |
correlated core | -3527.8995262 |
difference | -0.0743745 |
Energy (hartrees) | |
---|---|
frozen core | -3527.8484323 |
correlated core | -3527.8995262 |
difference | -0.0510939 |