III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -77.0826799 |
correlated core | -77.0873702 |
difference | -0.0046902 |
Energy (hartrees) | |
---|---|
frozen core | -77.0826799 |
correlated core | -77.0873702 |
difference | -0.0046903 |
Energy (hartrees) | |
---|---|
frozen core | -77.0826799 |
correlated core | -77.0873702 |
difference | -0.0046902 |
Energy (hartrees) | |
---|---|
frozen core | -77.0826799 |
correlated core | -77.0873702 |
difference | -0.0046903 |