III.G.10.a. |
Energy differences between frozen core and full core for MP2/TZVP
For ()Energy (hartrees) | |
---|---|
frozen core | -277.7397630 |
correlated core | -277.8077537 |
difference | -0.0679907 |
Energy (hartrees) | |
---|---|
frozen core | -277.7397630 |
correlated core | -277.8077537 |
difference | -0.0679907 |
Energy (hartrees) | |
---|---|
frozen core | -277.7407066 |
correlated core | -277.8087182 |
difference | -0.0680116 |
Energy (hartrees) | |
---|---|
frozen core | -277.7407066 |
correlated core | -277.8087182 |
difference | -0.0680116 |