III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -241.9051572 |
correlated core | -241.9098183 |
difference | -0.0046611 |
Energy (hartrees) | |
---|---|
frozen core | -241.9051572 |
correlated core | -241.9098182 |
difference | -0.0046610 |
Energy (hartrees) | |
---|---|
frozen core | -241.9051571 |
correlated core | -241.9098183 |
difference | -0.0046612 |
Energy (hartrees) | |
---|---|
frozen core | -241.9051571 |
correlated core | -241.9098182 |
difference | -0.0046611 |