III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -277.6623681 |
correlated core | -277.6733340 |
difference | -0.0109659 |
Energy (hartrees) | |
---|---|
frozen core | -277.6623681 |
correlated core | -277.6733340 |
difference | -0.0109659 |
Energy (hartrees) | |
---|---|
frozen core | -277.6636205 |
correlated core | -277.6746150 |
difference | -0.0109945 |
Energy (hartrees) | |
---|---|
frozen core | -277.6636205 |
correlated core | -277.6746150 |
difference | -0.0109945 |