III.G.10.a. |
Energy differences between frozen core and full core for MP2/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -341.6272636 |
correlated core | -341.6386629 |
difference | -0.0113993 |
Energy (hartrees) | |
---|---|
frozen core | -341.6272636 |
correlated core | -341.6386630 |
difference | -0.0113994 |
Energy (hartrees) | |
---|---|
frozen core | -341.6272636 |
correlated core | -341.6386630 |
difference | -0.0113994 |
Energy (hartrees) | |
---|---|
frozen core | -341.6272637 |
correlated core | -341.6386629 |
difference | -0.0113992 |
Energy (hartrees) | |
---|---|
frozen core | -341.6272637 |
correlated core | -341.6386630 |
difference | -0.0113993 |
Energy (hartrees) | |
---|---|
frozen core | -341.6272637 |
correlated core | -341.6386630 |
difference | -0.0113993 |
Energy (hartrees) | |
---|---|
frozen core | -341.6272637 |
correlated core | -341.6386629 |
difference | -0.0113992 |
Energy (hartrees) | |
---|---|
frozen core | -341.6272637 |
correlated core | -341.6386630 |
difference | -0.0113993 |
Energy (hartrees) | |
---|---|
frozen core | -341.6272637 |
correlated core | -341.6386630 |
difference | -0.0113993 |
Energy (hartrees) | |
---|---|
frozen core | -341.6272637 |
correlated core | -341.6386629 |
difference | -0.0113992 |
Energy (hartrees) | |
---|---|
frozen core | -341.6272637 |
correlated core | -341.6386630 |
difference | -0.0113993 |
Energy (hartrees) | |
---|---|
frozen core | -341.6272637 |
correlated core | -341.6386630 |
difference | -0.0113993 |