III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -26.0477599 |
correlated core | -26.0520510 |
difference | -0.0042911 |
Energy (hartrees) | |
---|---|
frozen core | -26.0477599 |
correlated core | -26.0520510 |
difference | -0.0042912 |
Energy (hartrees) | |
---|---|
frozen core | -26.0477604 |
correlated core | -26.0520510 |
difference | -0.0042906 |
Energy (hartrees) | |
---|---|
frozen core | -26.0477604 |
correlated core | -26.0520510 |
difference | -0.0042906 |
Energy (hartrees) | |
---|---|
frozen core | -26.0477605 |
correlated core | -26.0520510 |
difference | -0.0042905 |
Energy (hartrees) | |
---|---|
frozen core | -26.0477605 |
correlated core | -26.0520510 |
difference | -0.0042906 |
Energy (hartrees) | |
---|---|
frozen core | -26.0448198 |
correlated core | -26.0490513 |
difference | -0.0042316 |