III.G.10.a. |
Energy differences between frozen core and full core for MP2/aug-cc-pVTZ
For ()Energy (hartrees) | |
---|---|
frozen core | -2150.7201649 |
correlated core | -2150.7986511 |
difference | -0.0784863 |
Energy (hartrees) | |
---|---|
frozen core | -2150.7201649 |
correlated core | -2150.7986511 |
difference | -0.0784863 |
Energy (hartrees) | |
---|---|
frozen core | -2150.7201648 |
correlated core | -2150.7986511 |
difference | -0.0784863 |
Energy (hartrees) | |
---|---|
frozen core | -2150.7201649 |
correlated core | -2150.7986511 |
difference | -0.0784863 |
Energy (hartrees) | |
---|---|
frozen core | -2150.7201649 |
correlated core | -2150.7986511 |
difference | -0.0784863 |
Energy (hartrees) | |
---|---|
frozen core | -2150.7201648 |
correlated core | -2150.7986511 |
difference | -0.0784863 |
Energy (hartrees) | |
---|---|
frozen core | -2150.7201649 |
correlated core | -2150.7986511 |
difference | -0.0784862 |
Energy (hartrees) | |
---|---|
frozen core | -2150.7201649 |
correlated core | -2150.7986511 |
difference | -0.0784862 |
Energy (hartrees) | |
---|---|
frozen core | -2150.7201648 |
correlated core | -2150.7986511 |
difference | -0.0784863 |