III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVQZ
For ()Energy (hartrees) | |
---|---|
frozen core | -150.1554376 |
correlated core | -150.2142664 |
difference | -0.0588288 |
Energy (hartrees) | |
---|---|
frozen core | -150.1554376 |
correlated core | -150.2142660 |
difference | -0.0588285 |
Energy (hartrees) | |
---|---|
frozen core | -150.1554376 |
correlated core | -150.2142660 |
difference | -0.0588284 |
Energy (hartrees) | |
---|---|
frozen core | -150.1554370 |
correlated core | -150.2142664 |
difference | -0.0588293 |
Energy (hartrees) | |
---|---|
frozen core | -150.1554370 |
correlated core | -150.2142660 |
difference | -0.0588290 |
Energy (hartrees) | |
---|---|
frozen core | -150.1554370 |
correlated core | -150.2142660 |
difference | -0.0588290 |
Energy (hartrees) | |
---|---|
frozen core | -150.1554371 |
correlated core | -150.2142664 |
difference | -0.0588293 |
Energy (hartrees) | |
---|---|
frozen core | -150.1554371 |
correlated core | -150.2142660 |
difference | -0.0588290 |
Energy (hartrees) | |
---|---|
frozen core | -150.1554371 |
correlated core | -150.2142660 |
difference | -0.0588290 |