III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -277.5180059 |
correlated core | -277.5319736 |
difference | -0.0139678 |
Energy (hartrees) | |
---|---|
frozen core | -277.5180059 |
correlated core | -277.5319736 |
difference | -0.0139678 |
Energy (hartrees) | |
---|---|
frozen core | -277.5180059 |
correlated core | -277.5319736 |
difference | -0.0139678 |
Energy (hartrees) | |
---|---|
frozen core | -277.5180059 |
correlated core | -277.5319736 |
difference | -0.0139678 |
Energy (hartrees) | |
---|---|
frozen core | -277.5180057 |
correlated core | -277.5319736 |
difference | -0.0139679 |
Energy (hartrees) | |
---|---|
frozen core | -277.5180057 |
correlated core | -277.5319736 |
difference | -0.0139679 |
Energy (hartrees) | |
---|---|
frozen core | -277.5182846 |
correlated core | -277.5323146 |
difference | -0.0140299 |
Energy (hartrees) | |
---|---|
frozen core | -277.5182846 |
correlated core | -277.5323145 |
difference | -0.0140299 |
Energy (hartrees) | |
---|---|
frozen core | -277.5182846 |
correlated core | -277.5323146 |
difference | -0.0140299 |
Energy (hartrees) | |
---|---|
frozen core | -277.5182846 |
correlated core | -277.5323145 |
difference | -0.0140299 |
Energy (hartrees) | |
---|---|
frozen core | -277.5182843 |
correlated core | -277.5323146 |
difference | -0.0140302 |
Energy (hartrees) | |
---|---|
frozen core | -277.5182843 |
correlated core | -277.5323145 |
difference | -0.0140302 |