III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -129.7024882 |
correlated core | -129.7315802 |
difference | -0.0290920 |
Energy (hartrees) | |
---|---|
frozen core | -129.7024882 |
correlated core | -129.7315802 |
difference | -0.0290920 |
Energy (hartrees) | |
---|---|
frozen core | -129.7024882 |
correlated core | -129.7315802 |
difference | -0.0290920 |
Energy (hartrees) | |
---|---|
frozen core | -129.7024882 |
correlated core | -129.7315802 |
difference | -0.0290920 |
Energy (hartrees) | |
---|---|
frozen core | -129.7024881 |
correlated core | -129.7315802 |
difference | -0.0290921 |
Energy (hartrees) | |
---|---|
frozen core | -129.7024881 |
correlated core | -129.7315802 |
difference | -0.0290921 |