III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -77.3332424 |
correlated core | -77.3379975 |
difference | -0.0047551 |
Energy (hartrees) | |
---|---|
frozen core | -77.3332424 |
correlated core | -77.3379975 |
difference | -0.0047551 |
Energy (hartrees) | |
---|---|
frozen core | -77.3332424 |
correlated core | -77.3379975 |
difference | -0.0047551 |
Energy (hartrees) | |
---|---|
frozen core | -77.3332424 |
correlated core | -77.3379975 |
difference | -0.0047551 |
Energy (hartrees) | |
---|---|
frozen core | -77.3221198 |
correlated core | -77.3268234 |
difference | -0.0047036 |
Energy (hartrees) | |
---|---|
frozen core | -77.3221198 |
correlated core | -77.3268232 |
difference | -0.0047034 |
Energy (hartrees) | |
---|---|
frozen core | -77.3221196 |
correlated core | -77.3268234 |
difference | -0.0047038 |
Energy (hartrees) | |
---|---|
frozen core | -77.3221196 |
correlated core | -77.3268232 |
difference | -0.0047036 |