III.G.10.a. |
Energy differences between frozen core and full core for MP2/cc-pVDZ
For ()Energy (hartrees) | |
---|---|
frozen core | -497.2012079 |
correlated core | -497.2096972 |
difference | -0.0084893 |
Energy (hartrees) | |
---|---|
frozen core | -497.2012079 |
correlated core | -497.2096971 |
difference | -0.0084891 |
Energy (hartrees) | |
---|---|
frozen core | -497.2012078 |
correlated core | -497.2096972 |
difference | -0.0084894 |
Energy (hartrees) | |
---|---|
frozen core | -497.2012078 |
correlated core | -497.2096971 |
difference | -0.0084893 |