III.G.10.a. |
Energy differences between frozen core and full core for MP4/6-31G*
For ()Energy (hartrees) | |
---|---|
frozen core | -225.1136235 |
correlated core | -225.1202579 |
difference | -0.0066344 |
Energy (hartrees) | |
---|---|
frozen core | -225.1124212 |
correlated core | -225.1202579 |
difference | -0.0078367 |
Energy (hartrees) | |
---|---|
frozen core | -225.1136235 |
correlated core | -225.1190374 |
difference | -0.0054139 |
Energy (hartrees) | |
---|---|
frozen core | -225.1124212 |
correlated core | -225.1190374 |
difference | -0.0066162 |
Energy (hartrees) | |
---|---|
frozen core | -225.1136241 |
correlated core | -225.1202584 |
difference | -0.0066343 |